N-acetyl-alpha-D-galactosamine

HCID 84265CAS 14215-68-0
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Grundinformationen

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
Summenformel
C8H15NO6
Durchschnittliche Molmasse
221,21 g/mol
Monoisotopische Masse
221,0899372

Namen und Bezeichner

Bevorzugter Name
N-acetyl-alpha-D-galactosamine
IUPAC
N-[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Englischer Name
2-Acetamido-2-deoxy-D-galactopyranose
Summenformel
C8H15NO6
Molmasse
221.21

Namen und Synonyme

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
Weitere Namen anzeigen
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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-1,7
Polarare Oberfläche (TPSA)
119 Ų
H-Brücken-Donoren
5
H-Brücken-Akzeptoren
6
Frei drehbare Bindungen
2
Schwere Atome
15

Experimentelle und physikochemische Eigenschaften

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)]

Physikochemische Eigenschaften

Schmelzpunkt
158 · 158-162 °C
Siedepunkt
362.26 °C · 362.26°C (rough estimate)
Dichte
1.3572 · 1.3572 (rough estimate)
Brechungsindex
85 ° · 85 ° (C=1, H2O)
storage temp.
2 · Sealed in dry,2-8°C
Löslichkeit
Methanol (Slightly, Sonicated), Water (Slightly)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

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.

Gefahrenhinweise

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%)

Regulatorische Informationen

Regulatory Information.alpha.-D-Galactopyranose, 2-(acetylamino)-2-deoxy-: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

F
3-10
wgk
3
tsca
TSCA listed
hs_code
29329990
hazard_code
Xi
safety_code
22-24/25

Chemie und Industrie

Pharmakologische Informationen

Tissue LocationsAdipose Tissue；Brain；Epidermis；Intestine；Liver；Neuron；Pancreas；Placenta；Prostate；Skeletal Muscle；Spleen；Testis
Cellular LocationsGolgi apparatus；Lysosome

Verwendung und Herstellung

General Manufacturing Information.alpha.-D-Galactopyranose, 2-(acetylamino)-2-deoxy-: ACTIVE

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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]

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