Basic information
- CAS
130781-28-1- Standard SMILES
O[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@@H]1Sc1ccccc1- InChIKey
FOTBUKACGYQYOX-YKNMHBIISA-N- Molecular formula
- C33H34O5S
- Average molar mass
- 542.7 g/mol
- Monoisotopic mass
- 542.21269535
Names & identifiers
- Preferred name
- a-d-Glucopyranoside,phenyl 3,4,6-tris-o-(phenylmethyl)-1-thio-
- IUPAC
- (2R,3R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-phenylsulfanyloxan-3-ol
- English name
- a-D-Glucopyranoside, phenyl 3,4,6-tris-O-(phenylMethyl)-1-thio-
- Molecular formula
- C33H34O5S
- Molecular weight
- 542.68506
Names & synonyms
a-d-glucopyranoside,phenyl 3,4,6-tris-o-(phenylmethyl)-1-thio-130781-28-1α-D-Glucopyranoside, phenyl 3,4,6-tris-O-(phenylmethyl)-1-thio-a-D-Glucopyranoside, phenyl 3,4,6-tris-O-(phenylMethyl)-1-thio-
Database identifiers
- CAS
130781-28-1- PubChem CID
- 10792598
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 654
Physicochemical properties
- Boiling point
- 691.6 · 691.6±55.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- 12.7 · 12.70±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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