((4S,5S)-2-phenyl-1,3-dioxolane-4,5-diyl)dimethanol | SBID = 87 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 58.9 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 0.1 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| Number of H-Bond Acceptors: | 4.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 2.0 | ||
| 3D Volume/Å3: | 161.5 | ||
| Sum Formula: | C11H14O4 | ||
| M / g/mol: | 210.229 | ||
| Complexity: | 179.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: typical guest
- Name: ((4S,5S)-2-phenyl-1,3-dioxolane-4,5-diyl)dimethanol
- Preferred Abbreviation: (-)-2,3-O-Benzylidene-l-threitol
- IUPAC Name: [(4S,5S)-5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
- CAS: 35572-34-0
- CID: 719727
- InChiKey: AEJRVTSEJAYBNR-UWVGGRQHSA-N
- InChi: InChI=1S/C11H14O4/c12-6-9-10(7-13)15-11(14-9)8-4-2-1-3-5-8/h1-5,9-13H,6-7H2/t9-,10-/m0/s1
- CanoSmiles: C1=CC=C(C=C1)C2OC(C(O2)CO)CO
- IsoSmiles: C1=CC=C(C=C1)C2O[C@H]([C@@H](O2)CO)CO
