Basic information
- CAS
579-33-9- Standard SMILES
NC1C(O)OC(CO)C(O)C1O- InChIKey
MSWZFWKMSRAUBD-UHFFFAOYSA-N- Molecular formula
- C6H13NO5
- Average molar mass
- 179.17 g/mol
- Monoisotopic mass
- 179.07937252
Overview
2-Amino-2-Deoxy-Hexose is a hexose.
Names & identifiers
- Preferred name
- 2-Amino-2-Deoxy-Hexose
- IUPAC
- 3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
- English name
- D-Mannose, 2-amino-2-deoxy-
- Molecular formula
- C6H13NO5
- Molecular weight
- 179.17
Names & synonyms
2-Amino-2-Deoxy-HexoseHexosamine2-Amino-2-Deoxy-Hexopyranose2-Amino-2-Deoxy-HexopyranosideHexNSNFG:HexNHexN (SNFG)RefChem:53240GlyTouCan:G43933IMCHEBI:24586G43933IM3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
Show more names
2-Amino-2-deoxyhexopyranosea-D-Glucopyranose, 2-amino-2-deoxy-686298-83-9a-D-Galactopyranose, 2-amino-2-deoxy-b-D-Galactopyranose, 2-amino-2-deoxy-2-amino-2-deoxyglucoseGlucose, 2-amino-2-deoxy-a hexosamine
Database identifiers
- CAS
579-33-9、686298-83-9- PubChem CID
- 739
- DTXSID
DTXSID90859064- ChEBI
CHEBI:180999- Nikkaji
- J3.394.088B
Properties
Computed structural properties
- XLogP
- -2.8
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 155
Experimental & physicochemical properties
DrugsPharmaceuticals
Physicochemical properties
- Boiling point
- 532.5 · 532.5±50.0 °C(Predicted)
- Density
- 1.491 · 1.491±0.06 g/cm3(Predicted)
- pka
- 11.21 · 11.21±0.45(Predicted)
- FDA UNII
- 9 TVN2X1 · CIO9TVN2X1
Chemistry & industry
Suppliers1 total
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
Additional notes
DefinitionChEBI: 2-Amino-2-Deoxy-Hexose is a hexose.
Related reactions
21 records
Compound notes
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