(R)-(-)-Butane-1,3-diol
PubChem CID: 637497
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| Compound Synonyms | (R)-butane-1,3-diol, (R)-(-)-1,3-Butanediol, 6290-03-5, (3R)-butane-1,3-diol, 1,3-Butanediol, (3R)-, (R)-(-)-Butane-1,3-diol, (R)-(-)-1,3-Butylene Glycol, MFCD00064277, EINECS 228-532-0, (R)?-?(-?)?-?1,?3-?Butanediol, 1,3-Butanediol, (R)-, (3R)-1,3-Butanediol, (-)-1,3-Butanediol, (R)-(-)-1,3-Butanediol, (R)-1,3-Butanediol, L-Butane-1,3-diol, , BU4, 1,3-Butanediol #, 1,3-(R)-butanediol, (-)-1,3-Butanediol, r-(-)-1,3-butanediol, (R)-(-)-1,3-butandiol, CHEBI:52687, (R)-(-)-1,3-Dihydroxybutane, DTXSID001016432, CS-M1638, AKOS005146047, AKOS015838959, AC-5640, FB01770, (R)-(-)-1,3-Butanediol, 98%, AS-11116, HY-77490, B1159, NS00080628, O10183, EN300-7206273, Q27123551, 228-532-0 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 6.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 28.7 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3R)-butane-1,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | -0.4 |
| Molecular Formula | C4H10O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PUPZLCDOIYMWBV-SCSAIBSYSA-N |
| Fcsp3 | 1.0 |
| Logs | 0.955 |
| Rotatable Bond Count | 2.0 |
| Logd | -1.325 |
| Compound Name | (R)-(-)-Butane-1,3-diol |
| 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 | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.046256399999999975 |
| Inchi | InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1 |
| Smiles | C[C@H](CCO)O |
| Nring | 0.0 |
| 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 Cnidium Officinale (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Ligusticum Sinense (Plant) Rel Props:Source_db:cmaup_ingredients