(S)-propane-1,2-diol
PubChem CID: 439846
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| Compound Synonyms | (S)-(+)-1,2-Propanediol, 4254-15-3, (S)-Propane-1,2-diol, (2S)-propane-1,2-diol, (S)-1,2-Propanediol, (S)-Propylene glycol, S-1,2-PROPANEDIOL, Propylene glycol, (S)-, (S)-(+)-Propylene Glycol, (+)-1,2-Propanediol, MFCD00004539, (S)-(+)-1,2-Dihydroxypropane, (S)-(+)-Propanediol, D-PROPYLENE GLYCOL, (S)-1,2-propane-diol, 942194N4TD, (S)-1,2-dihydroxypropane, (S)-2-HYDROXYPROPANOL, CHEBI:29002, (S)-(+)-Propane-1,2-diol, DTXSID501009430, (S)-2-HYDROXY-1-PROPANOL, PROPYLENE GLYCOL D-FORM [MI], L-1,2-propanediol, (S)-(+)-Propylene glycerol, C3H8O2, Propylene glycol #, PGO, 1,2-Propanediol, (S)-, UNII-942194N4TD, S(+)-Propylene glycol, (2S)-propane-1,2diol, 1,2Propanediol, (2S), Propane1,2diol, (S)(+), PROPYLENE GLYCOL D-FORM, DTXCID501436261, Propane-1,2-diol, (S)-(+)-, AKOS015836397, AKOS015904186, DB04349, FP60219, (S)-(+)-1,2-Propanediol, 96%, (S)-(+)-1,2-Propanediol, 99%, AC-14033, AS-12362, HY-79334, DB-009392, CS-0011520, NS00068400, P1129, EN300-88342, A11634, C02917, A831500, Q27095160, Z1255449993, (S)-(+)-1,2-Dihydroxypropane, (S)-(+)-Propylene Glycol, 610-039-0 |
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| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 5.0 |
| Description | (s)-propane-1,2-diol, also known as (S)-propylene glycol or (S)-1,2-dihydroxypropane, is a member of the class of compounds known as 1,2-diols. 1,2-diols are polyols containing an alcohol group at two adjacent positions (s)-propane-1,2-diol is soluble (in water) and a very weakly acidic compound (based on its pKa). (s)-propane-1,2-diol can be found in a number of food items such as giant butterbur, pasta, celery leaves, and pecan nut, which makes (s)-propane-1,2-diol a potential biomarker for the consumption of these food products (s)-propane-1,2-diol can be found primarily in saliva (s)-propane-1,2-diol exists in all living organisms, ranging from bacteria to humans. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 20.9 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-propane-1,2-diol |
| Prediction Hob | 1.0 |
| Xlogp | -0.9 |
| Molecular Formula | C3H8O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DNIAPMSPPWPWGF-VKHMYHEASA-N |
| Fcsp3 | 1.0 |
| Logs | 0.895 |
| Rotatable Bond Count | 1.0 |
| Logd | -1.09 |
| Compound Name | (S)-propane-1,2-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 76.0524 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 76.0524 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 76.09 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.3338110000000001 |
| Inchi | InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m0/s1 |
| Smiles | C[C@@H](CO)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chaenomeles Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients