Basic information
- CAS
56816-60-5- Standard SMILES
C[C@H]1OC(O)[C@H](O)C[C@H]1O- InChIKey
KYPWIZMAJMNPMJ-JDJSBBGDSA-N- Molecular formula
- C6H12O4
- Average molar mass
- 148.16 g/mol
Names & identifiers
- Preferred name
- D-Abequose
- IUPAC
- (3R,5R,6R)-6-methyloxane-2,3,5-triol
- English name
- abequose
- Molecular formula
- C6H12O4
- Molecular weight
- 148.16
Names & synonyms
Abequose3-Deoxy-D-fucose3,6-dideoxy-d-xylo-hexopyranose3,6-dideoxy-d-galactoseD-Abe3,6-Dideoxy-Xylose3,6-Dideoxy-Galactose3-Deoxy-D-Fucopyranose3,6-Dideoxy-D-Xylose3,6-Dideoxy-D-Galacto-Hexopyranose3-Deoxy-D-Fucopyranoside3,6-Dideoxy-Xylopyranose
Show more names
D-xylo-Hexopyranose, 3,6-dideoxy-D-Xylo-hexopyranose, 3,6-dideoxy- (van)
3,6-Dideoxy-Xylopyranoside3,6-Dideoxy-D-Xylopyranose3,6-Dideoxy-Galactopyranose3-Deoxy-D-Fuco-Hexopyranose3,6-Dideoxy-Galactopyranoside3,6-Dideoxy-D-Xylopyranoside3,6-Dideoxy-D-Galactopyranose3,6-Dideoxy-Xylo-Hexopyranose
Database identifiers
- CAS
56816-60-5、644-48-4- PubChem CID
- 160540
- Nikkaji
- J1.275.957F
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 116
Physicochemical properties
- Boiling point
- 307.623 · 307.623±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.366 · 1.366±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.585 · 12.585±0.70(predicted)
- FDA UNII
- 7 RTT4BN · ZP07RTT4BN
Chemistry & industry
Suppliers1 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
Related reactions
2 records
Compound notes
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