Basic information
- CAS
68445-41-0- Standard SMILES
CC(O)CO[C@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O- InChIKey
YASQSQYNAKRYLD-JHJAPHOESA-N- Molecular formula
- C15H28O12
- Average molar mass
- 400.38 g/mol
- Monoisotopic mass
- 400.15807632
Names & identifiers
- Preferred name
- alpha-D-Glucopyranoside, 2-hydroxypropyl 4-O-beta-D-glucopyranosyl-
- IUPAC
- (2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(2-hydroxypropoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
- English name
- (2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6 -(2-hydroxypropoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
- Molecular formula
- C15H28O12
- Molecular weight
- 400.38
Names & synonyms
68445-41-0alpha-D-Glucopyranoside, 2-hydroxypropyl 4-O-beta-D-glucopyranosyl-DTXSID309881002-Hydroxypropyl 4-O-hexopyranosylhexopyranoside2-hydroxypropyl 4-O-beta-D-glucopyranosyl-alpha-D-glucopyranosideα-D-Glucopyranoside, 2-hydroxypropyl 4-O-β-D-glucopyranosyl- (9CI)(2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6 -(2-hydroxypropoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Database identifiers
- CAS
68445-41-0- PubChem CID
- 155152
- DTXSID
DTXSID30988100
Properties
Computed structural properties
- XLogP
- -4.4
- Topological polar surface area
- 199 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 453
Physicochemical properties
- Boiling point
- 717.147 · 717.147±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.609 · 1.609±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.819 · 12.819±0.70(predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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