(2R,3R)-(-)-2-Benzyloxy-1,3,4-butanetriol | SBID = 88 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 69.9 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -0.3 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 3.0 | ||
| 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: | 167.1 | ||
| Sum Formula: | C11H16O4 | ||
| M / g/mol: | 212.245 | ||
| Complexity: | 157.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: alcohol, typical guest
- Name: (2R,3R)-(-)-2-Benzyloxy-1,3,4-butanetriol
- Preferred Abbreviation: (2R,3R)-(-)-2-Benzyloxy-1,3,4-butanetriol
- IUPAC Name: (2R,3R)-3-phenylmethoxybutane-1,2,4-triol
- CAS: 84379-52-2
- CID: 10867592
- InChiKey: YYGZBCNOJHZTGA-GHMZBOCLSA-N
- InChi: InChI=1S/C11H16O4/c12-6-10(14)11(7-13)15-8-9-4-2-1-3-5-9/h1-5,10-14H,6-8H2/t10-,11-/m1/s1
- CanoSmiles: C1=CC=C(C=C1)COC(CO)C(CO)O
- IsoSmiles: C1=CC=C(C=C1)CO[C@H](CO)[C@@H](CO)O
