Basic information
- CAS
14215-68-0- Standard SMILES
CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1O- InChIKey
OVRNDRQMDRJTHS-CBQIKETKSA-N- Molecular formula
- C8H15NO6
- Average molar mass
- 221.21 g/mol
- Monoisotopic mass
- 221.0899372
Names & identifiers
- Preferred name
- N-acetyl-alpha-D-galactosamine
- IUPAC
- N-[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
- English name
- 2-Acetamido-2-deoxy-D-galactopyranose
- Molecular formula
- C8H15NO6
- Molecular weight
- 221.21
Names & synonyms
alpha-GalNAc14215-68-0N-acetyl-alpha-D-galactosaminealpha-N-Acetyl-D-galactosamineTN saccharidealpha-GalpNAcGalNAc-alphaTN antigen saccharidealpha-D-Galactopyranose, 2-(acetylamino)-2-deoxy-2-acetamido-2-deoxy-alpha-D-galactopyranoseTN saccharide component2-(acetylamino)-2-deoxy-alpha-D-galactopyranose
Show more names
N-ACETYL-D-GALACTOSAMINEN-((3R,4R,5R,6R)-2,4,5-Trihydroxy-6-(hydroxyMethyl)tetrahydro-2H-pyran-3-yl)acetaMideD-GALNAC2-ACETAMIDO-2-DEOXY-D-GALACTOPYRANOSEN-Acetyl-α-D-galactosamineAM-1ACETYLCHONDROSAMINEN-ACETYLCHONDROSAMINEACETYL-D-GALACTOSAMINE2-Acetyl-D-Galactosamine
TN antigen saccharide componentCHEBI:4035600C01APN10DTXSID70884733RefChem:828864GlyTouCan:G57321FIDTXCID401024160G57321FI
Database identifiers
- CAS
14215-68-0、1811-31-0- PubChem CID
- 84265
- DTXSID
DTXSID70884733- ChEMBL
CHEMBL1230702- ChEBI
CHEBI:40356- UNII
- 00C01APN10
- EC Number
- 805-263-2
- Nikkaji
- J382.936G
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 235
Experimental & physicochemical properties
Melting Point172 - 173 °C
Physical DescriptionSolid
Collision Cross Section150.3 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]；151.4 Ų [M+K]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
Physicochemical properties
- Melting point
- 158 · 158-162 °C
- alpha
- 85 · 85 º (c=1, H2O, 5 hrs)
- Boiling point
- 362.26 °C · 362.26°C (rough estimate)
- Density
- 1.3572 · 1.3572 (rough estimate)
- refractive index
- 85 ° · 85 ° (C=1, H2O)
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- Methanol (Slightly, Sonicated), Water (Slightly)
- form
- Solid
- pka
- 12.04 · 12.04±0.70(Predicted)
- color
- White to Off-White
- optical activity
- 115 · +115 → +80
- Water Solubility
- almost transparency
- Concentration
- 0.1 mCi/ml · 0.1 mCi/ml
- Solvent
- Ethanol:water (7:3)
- Specific Activity
- 40 · 40-60 mCi/mmol
- InChIKey
- OVRNDRQMDRJTHS-KEWYIRBNSA-N
- CAS DataBase Reference
- 14215 · 14215-68-0(CAS DataBase Reference)
- FDA UNII
- 0 C01APN10 · 00C01APN10
- EPA Substance Registry System
- 2 · .alpha.-D-Galactopyranose, 2-(acetylamino)-2-deoxy- (14215-68-0)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
- F
- 3 · 3-10
- TSCA
- TSCA listed
- HS Code
- 29329990 · 29329990
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.
Warning
H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 2 of 3 reports by companies.；There is 1 notification provided by 1 of 3 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information.alpha.-D-Galactopyranose, 2-(acetylamino)-2-deoxy-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesEye Irrit. 2A (33.3%)
Regulatory information
Regulatory Information.alpha.-D-Galactopyranose, 2-(acetylamino)-2-deoxy-: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- F
- 3-10
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29329990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 22-24/25
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Pharmacology
Tissue LocationsAdipose Tissue；Brain；Epidermis；Intestine；Liver；Neuron；Pancreas；Placenta；Prostate；Skeletal Muscle；Spleen；Testis
Cellular LocationsGolgi apparatus；Lysosome
Uses & manufacturing
General Manufacturing Information.alpha.-D-Galactopyranose, 2-(acetylamino)-2-deoxy-: ACTIVE
Applications
UsesN-Acetyl-D-galactosamine is a bio-activated reporters to visualize.
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
湖北辰心化工有限公司18696113233 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
湖北威德利化学试剂有限公司17771473825 13385289472 · [email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
北京绿百草科技发展有限公司010-61136123 · [email protected]
西安泽邦生物科技有限公司[email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
杭州璟皓生物科技有限公司（原河南辛迪加生物）17513242016 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
苏州新瑞生物科技有限公司13401437572 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
唐山默内德贸易有限公司+86-315-8309571 +86-15633399667 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
唐山默内德贸易有限公司0315-8309571 15633399667 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
北京伊诺凯科技有限公司15652467323 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海弘邦医药科技有限公司021-021-64975436 18917636693 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
杭州拜善晟生物科技有限公司0571-28111272 18505711187 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
上海嵩爰化工科技有限公司010-1234567 18521000990 · [email protected]
宁波经济技术开发区弘翔生化科技有限公司574-66003444 13071918355 · [email protected]
天津詹士顿医药科技有限公司022-60131465 18920720807 · [email protected]
TargetMol中国（陶术生物）021-021-33632979 15002134094 · [email protected]
芜湖诺威化学技术有限公司0553-8233716 18055326116
九鼎化学（上海）科技有限公司4009209199 · [email protected]
上海谱振生物科技有限公司4001650900 13817534909 · [email protected]
武汉沃轩科技有限公司13322067656 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
启源（广东）医药化工有限公司18026564465 · [email protected]
Additional notes
DefinitionChEBI: N-acetyl-D-galactosamine is the D-enantiomer of N-acetylgalactosamine. It has a role as a human metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a N-acetyl-D-hexosamine and a N-acetylgalactosamine.
Related reactions
2 records
Compound notes
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