Phenyl-β-D-galactopyranoside | SBID = 49 | Compound |
Structure
Molecular Properties
| Interactions: | 4 | ||
| PubChem TPSA/Å2: | 99.4 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -0.9 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 4.0 | ||
| Number of H-Bond Acceptors: | 6.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 5.0 | ||
| 3D Volume/Å3: | 187.0 | ||
| Sum Formula: | C12H16O6 | ||
| M / g/mol: | 256.254 | ||
| Complexity: | 255.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: typical guest
- Name: Phenyl-β-D-galactopyranoside
- Preferred Abbreviation: Phenyl-β-D-galactopyranoside
- IUPAC Name: (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol
- CAS: 2818-58-8
- CID: 102336
- InChiKey: NEZJDVYDSZTRFS-YBXAARCKSA-N
- InChi: InChI=1S/C12H16O6/c13-6-8-9(14)10(15)11(16)12(18-8)17-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9+,10+,11-,12-/m1/s1
- CanoSmiles: C1=CC=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O
- IsoSmiles: C1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O
