Basic information
- CAS
1990-29-0- Standard SMILES
O=CC(O)C(O)C(O)C(O)CO- InChIKey
GZCGUPFRVQAUEE-UHFFFAOYSA-N- Molecular formula
- C6H12O6
- Average molar mass
- 180.16 g/mol
- Monoisotopic mass
- 180.0633881
Overview
Aldohexose is a hexose with a (potential) aldehyde group at one end. It is an aldose and a hexose.
Names & identifiers
- Preferred name
- GlyTouCan:G09597LJ
- IUPAC
- 2,3,4,5,6-pentahydroxyhexanal
- English name
- D-ALTROSE
- Molecular formula
- C6H12O6
- Molecular weight
- 180.16
Names & synonyms
RefChem:675366GlyTouCan:G09597LJG09597LJ2,3,4,5,6-pentahydroxyhexanal93780-23-53458-28-4Mannose, D-L-(-)-GalactoseD-Glucose-3,4-13C2D-(+)-GlucoseD-Glucose-2-d1D-(+) Glucose
Show more names
Altd-[UL-13C6]altrose(2S,3R,4R,5R)-2,3,4,5,6-PentahydroxyhexanalaltroseD-ALTROSEB-D-AltroseALTROSE, D-α-D-AltroseD-(+)-ALTROSEALTROSE, D-(RG)
D-Mannose-3-13CL-(+)-Gulose67759-25-5Glucose, liquidAldohexoseGalactose, D-2,3,4,5,6-pentakis(oxidanyl)hexanalGalactose, L- (8CI)
Database identifiers
- CAS
1990-29-0、25191-16-6、2595-98-4、3458-28-4、45009-62-9、50-99-7、8027-56-3、93780-23-5- PubChem CID
- 24749
- DTXSID
DTXSID70860057- ChEMBL
CHEMBL1206211- ChEBI
CHEBI:33917- EC Number
- 222-392-4
- Nikkaji
- J2.733.971I
Properties
Computed structural properties
- XLogP
- -2.9
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 138
Experimental & physicochemical properties
Chemical ClassesBiological Agents -> Monosaccharides and Derivatives
DrugsPharmaceuticals
Vapor Pressure0.00000002 [mmHg]
Physical DescriptionWhite hygroscopic powder; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 106 · 106-108 °C
- alpha
- 20 · D20 +32.6° (c = 7.6)
- Boiling point
- 232.96 °C · 232.96°C (rough estimate)
- Density
- 1.581 · 1.581
- refractive index
- 1.586 · 1.5860 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly, Heated), Water (Slightly)
- form
- Powder
- pka
- 12.45 · 12.45±0.20(Predicted)
- color
- White to off-white
- optical activity
- 33 · [α]/D 33.0±2.0°, c = 0.2 in H2O
- Merck
- 13 · 13,319
- BRN
- 1724621 · 1724621
- InChI
- 1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2
- InChIKey
- GZCGUPFRVQAUEE-UHFFFAOYSA-N
- SMILES
- OC[C@H]1OC(O)[C@@H](O)[C@H](O)[C@@H]1O
- LogP
- -3.29 · -3.290 (est)
- CAS DataBase Reference
- 1990 · 1990-29-0(CAS DataBase Reference)
- FDA UNII
- 5 PLN1O36FF · 5PLN1O36FF
- UNSPSC Code
- 12352201 · 12352201
- NACRES
- 25 · NA.25
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 24 · 24/25-36-26
- WGK Germany
- 3 · 3
- HS Code
- 29400090 · 29400090
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 99.4% (158 of 159) of all reports.
Not Classified
Aggregated GHS information provided per 159 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: D-Mannose
Chemical: Liquid glucose
Status: Active Update: 15-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/23819
D-Mannose: Does not have an individual approval but may be used under an appropriate group standard
Liquid glucose: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety Information
IMAP assessments - D-Mannose: Human health tier I assessment
IMAP assessments - Liquid glucose: Human health tier I assessment
Hazards SummaryMay cause irritation; [Alfa Aesar MSDS]
Hazard Classes and CategoriesNot Classified
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29400090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 24/25-36-26
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Uses & manufacturing
UsesIsomer of glucose; [ChemIDplus]
General Manufacturing InformationD-Mannose: ACTIVE
Applications
UsesD-Altrose is the epimer of D-glucose at C3 and have recently been discovered to possess antioxidant properties by the suppression of reactive oxygen species production in mitochondria due to competiti on with D-glucose at the cellular level.
Upstream & downstream products
Downstream products
Suppliers1 total
上海炎泽化工有限公司15345144255 19901447308 · [email protected]
Additional notes
DefinitionAn aldohexose that is isomeric with glucose, tallose, allose, and others.
Related reactions
120 records
Compound notes
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