(R,R)-2,3-butanediol
PubChem CID: 225936
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| Compound Synonyms | (2R,3R)-butane-2,3-diol, 24347-58-8, (R,R)-2,3-butanediol, (2R,3R)-(-)-2,3-Butanediol, (2R,3R)-2,3-butanediol, (R,R)-Butane-2,3-diol, 2,3-Butanediol, (-)-, 6982-25-8, (R,R)-(-)-2,3-Butanediol, D-(-)-2,3-Butanediol, (R,R)-2,3-Butylene glycol, 2,3-Butanediol, threo-, (R,R)-(-)-Butane-2,3-diol, (R,R)-(-)-2,3-Butylene Glycol, Levo-2,3-Butanediol, (-)-2,3-butanediol, MFCD00064267, (-)-(2R,3R)-Butanediol, 6510BGK6C5, OR02B2286A, 2,3-Butanediol, [R-(R*,R*)]-, (-)-(2R,3R)-2,3-BUTANEDIOL, 2,3-Butanediol #, BU3, 2,3-BUTANEDIOL, (R-(R*,R*))-, 2,3-Butanediol, (R*,R*)-(+-)-, UNII-6510BGK6C5, UNII-OR02B2286A, (+/-)-2,3-BUTANEDIOL, NSC-249246, (2R,3R)-rel-2,3-Butanediol, EINECS 246-186-9, (2r,3r)-butanediol, (r,r)-2,3 butanediol, D(-)-2,3-butanediol, D-2,3-BUTANEDIOL, L-(-)-2,3-Butanediol, THREO-2,3-BUTANEDIOL, (-)-(r,r)-2,3-butanediol, CHEBI:16982, rel-(2R,3R)-2,3-Butanediol, 2,3-Butanediol, (R*,R*)-, DTXSID801026532, DTXSID801031371, NSC15829, Rel-(2R,3R)-Butane-2,3-diol, (2R,3R)-(-)-2,3-butandiol, (R,R)-(-)-2,3-Dihydroxybutane, (2R, 3R)(-)-2,3-butanediol, (2R,3R)-(?)-2,3-Butanediol, BBL101946, MSK162203, NSC-15829, s3333, STL555743, (2R, 3R)-(-)-2,3-butanediol, AKOS015907648, AKOS016015450, CS-W016670, FB02473, HY-W015954, 2,3-BUTANEDIOL, (+/-)-, 2,3-BUTANEDIOL, (2R,3R)-, AC-26496, AS-57289, BP-30189, 2,3-BUTANEDIOL, (2R,3R)-REL-, 2,3-BUTYLENE GLYCOL DL-THREO-FORM, 1ST162203, DB-009316, (2R,3R)-(-)-2,3-Butanediol, 97%, B1161, NS00084625, 2,3-BUTANEDIOL, (2R,3R)-(-)-, 2,3-BUTYLENE GLYCOL D(-)-THREO-FORM, C03044, C91323, EN300-141851, 2,3-BUTANEDIOL, (R*,R*)-(+/-)-, 2,3-BUTYLENE GLYCOL DL-THREO-FORM [MI], 2,3-BUTYLENE GLYCOL D(-)-THREO-FORM [MI], Q27102161, Z1255427387 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 6.0 |
| Description | Isolated from cocoa butter and roots of Ruta graveolens (rue) 2,3-Butanediol is one of the constitutional isomers of butanediol. The 2R,3R stereoisomer of 2,3-butanediol is produced by a variety of microorganisms, in a process known as butanediol fermentation. It is found in cocoa butter and in the roots of Ruta graveolens. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 30.5 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Enzyme Uniprot Id | P62837 |
| Uniprot Id | P62837 |
| Iupac Name | (2R,3R)-butane-2,3-diol |
| Prediction Hob | 1.0 |
| Class | Alcohols and polyols |
| Xlogp | -0.9 |
| Superclass | Organooxygen compounds |
| Subclass | Polyols |
| Molecular Formula | C4H10O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OWBTYPJTUOEWEK-QWWZWVQMSA-N |
| Fcsp3 | 1.0 |
| Logs | 0.858 |
| Rotatable Bond Count | 1.0 |
| State | Liquid |
| Logd | -0.809 |
| Synonyms | (-)-(2R,3R)-Butanediol, (-)-2,3-Butanediol, (2R,3R)-(-)-2,3-Butanediol, (2R,3R)-Butane-2,3-diol, (R,R)-(-)-Butane-2,3-diol, (R,R)-2,3-Butanediol, (R,R)-2,3-Butylene glycol, (R,R)-Butane-2,3-diol, 2R,3R-Butanediol, L-(-)-2,3-Butanediol, levo-2,3-Butanediol |
| Substituent Name | Secondary alcohol, 1,2-diol, Hydrocarbon derivative, Aliphatic acyclic compound |
| Compound Name | (R,R)-2,3-butanediol |
| Kingdom | Organic compounds |
| 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 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | 0.2468436000000001 |
| Inchi | InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1 |
| Smiles | C[C@H]([C@@H](C)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | 1,2-diols |
- 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 Angelica Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Ficus Carica (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Lycium Barbarum (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Lycium Chinense (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Polyalthia Nemoralis (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Trichosanthes Kirilowii (Plant) Rel Props:Source_db:cmaup_ingredients