Showing Metabocard for (R,R)-butane-2,3-diol (BASm0000804)
| Common Name | (r,r)-butane-2,3-diol |
|---|---|
| Description | true |
| Structure | |
| Molecular Formula | C4H10O2 |
| Average Mass | 90.12100 |
| Monoisotopic Mass | 90.06808 |
| IUPAC Name | (2R,3R)-butane-2,3-diol |
| Traditional Name | (r,r)-butane-2,3-diol |
| CAS Registry Number | 24347-58-8 |
| SMILES | C[C@@H](O)[C@@H](C)O |
| InChI Identifier | InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1 |
| InChI Key | OWBTYPJTUOEWEK-QWWZWVQMSA-N |
| CHEBI ID | CHEBI:16982 |
| HMDB ID | HMDB0033007 |
| State | Liquid |
| Water Solubility | 6.03e+02 g/l |
| logP | -0.59 |
| logS | 0.83 |
| pKa (Strongest Acidic) | 14.22 |
| pKa (Strongest Basic) | -3.01 |
| Hydrogen Acceptor Count | 2 |
| Hydrogen Donor Count | 2 |
| Polar Surface Area | 40.46 Ų |
| Rotatable Bond Count | 1 |
| Physiological Charge | 0 |
| Formal Charge | 0 |
| Refractivity | 23.39 m³·mol⁻¹ |
| Polarizability | 9.82 |