Basic information
- CAS
19432-18-9- Standard SMILES
OC[C@@H](O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
NHJUPBDCSOGIKX-NZJLWHDDSA-N- Molecular formula
- C9H18O8
- Average molar mass
- 254.23 g/mol
- Monoisotopic mass
- 254.10016753
Names & identifiers
- Preferred name
- (2S,3R,4S,5S,6R)-2-((R)-2,3-dihydroxypropoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
- IUPAC
- (2S,3R,4S,5S,6R)-2-[(2R)-2,3-dihydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
- English name
- α-D-Glucopyranoside, (2R)-2,3-dihydroxypropyl
- Molecular formula
- C9H18O8
- Molecular weight
- 254.24
Names & synonyms
CHEMBL45075419432-18-9(2S,3R,4S,5S,6R)-2-((R)-2,3-dihydroxypropoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triolGlucose Impurity 209UVF86LA3PSCHEMBL30866592NHJUPBDCSOGIKX-NZJLWHDDSA-NBDBM50478435(2R)-2,3-Dihydroxypropyl alpha-D-glucopyranosidealpha-D-Glucopyranoside, (2R)-2,3-dihydroxypropyl-α-D-Glucopyranoside, (2R)-2,3-dihydroxypropyl
Database identifiers
- CAS
19432-18-9- PubChem CID
- 446397
- ChEMBL
CHEMBL450754- UNII
- 9UVF86LA3P
- Nikkaji
- J1.206.294J
Properties
Computed structural properties
- XLogP
- -3.4
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Boiling point
- 619.2 · 619.2±55.0 °C(Predicted)
- Density
- 1.58 · 1.58±0.1 g/cm3(Predicted)
- pka
- 12.89 · 12.89±0.70(Predicted)
Chemistry & industry
Suppliers1 total
衡阳稼轩生物科技有限公司18684598761 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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