2,3-Butanediol, (+)-
PubChem CID: 439888
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| Compound Synonyms | 19132-06-0, (2S,3S)-butane-2,3-diol, (S,S)-2,3-Butanediol, (2S,3S)-(+)-2,3-Butanediol, (S,S)-(+)-2,3-butanediol, (2s,3s)-2,3-butanediol, (S,S)-Butane-2,3-diol, 2,3-Butanediol, (+)-, (+)-2,3-butanediol, (S,S)-2,3-Butylene glycol, 2,3-Butanediol, (S-(R*,R*))-, 7E9UXG71S1, MFCD00063648, 2,3-Butanediol, [S-(R*,R*)]-, 2,3-BUTANEDIOL, (2S,3S)-, 2,3-BUTANEDIOL, L-, CHEBI:16812, DTXSID401031117, L-(+)-BUTANE-2,3-DIOL, 2,3-BUTYLENE GLYCOL L(+)-THREO-FORM, 2,3-BUTYLENE GLYCOL L(+)-THREO-FORM [MI], 2,3-Butanediol #, L-(+)-2,3-Butanediol, UNII-7E9UXG71S1, (2S,3S)-(+)2,3-Butanediol, (S,S)-2,3-Butanediol, L-2,3-Butanediol, (+)-2,3-Butanediol, (2S,3S)-(+)-2,3-Butanediol, (2S,3S)-2,3-Butanediol, (+)-Butane-2,3-diol, (S-(R,R))-butane-2,3-diol, DTXCID601516335, (S,S)-(+)-2,3-Dihydroxybutane, (S,S)-(+)-2,3-Butylene Glycol, AKOS015840290, AC-26495, AS-57290, DB-009328, DB-309805, (2S,3S)-(+)-2,3-Butanediol, 97%, B1343, CS-0106462, C03046, C73651, EN300-141852, Q27102089, L-(+)-2,3-Butanediol, for chiral derivatization, >=97.0%, 813-634-5 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 6.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 30.5 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2S,3S)-butane-2,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | -0.9 |
| Molecular Formula | C4H10O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OWBTYPJTUOEWEK-IMJSIDKUSA-N |
| Fcsp3 | 1.0 |
| Logs | -5.494 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.083 |
| Compound Name | 2,3-Butanediol, (+)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 90.0681 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 90.0681 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 90.12 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.2468436000000001 |
| Inchi | InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m0/s1 |
| Smiles | C[C@@H]([C@H](C)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aloe Africana (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Aloe Ferox (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Aloe Spicata (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Aloe Vera (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Lycium Barbarum (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Lycium Chinense (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients