methyl (S)-lactate
PubChem CID: 94386
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| Compound Synonyms | 27871-49-4, Methyl (S)-(-)-lactate, Methyl L-lactate, (S)-Methyl lactate, (-)-Methyl L-lactate, Methyl (S)-2-hydroxypropionate, (-)-Methyl lactate, methyl (2S)-2-hydroxypropanoate, (S)-Lactic acid methyl ester, L-Methyl Lactate, Methyl L-(-)-Lactate, (S)-methyl 2-hydroxypropanoate, methyl (S)-lactate, Methyl lactate, L-, Propanoic acid, 2-hydroxy-, methyl ester, (2S)-, (-)-Lactic acid methyl ester, Methyl (S)-2-hydroxypropanoate, (S)-(-)-methyl lactate, methyl (2S)-lactate, (-)-2-Hydroxypropionic acid methyl ester, Lactic acid, methyl ester, L-, L-lactate methyl ester, (S)-(-)-Lactic acid methyl ester, EINECS 248-704-9, L-lactic acid methyl ester, methyl (-)-(s)-lactate, Propanoic acid, 2-hydroxy-, methyl ester, (S)-, DTXSID9074359, METHYL LACTATE, (-)-, CHEBI:83222, methyl (2S)-2-hydroxypropionate, EC 248-704-9, MFCD00064265, 0379G9C44S, (-)-2-hydroxypropanoic acid methyl ester, UNII-0379G9C44S, (-)-methyl-l-lactate, methyl(-)-(S)-lactate, Methyl(S)-(-)-lactate, methyl-(S)-(-)-lactate, SCHEMBL65010, (S)-methyl2-hydroxypropanoate, (S)-lactic acid, methyl ester, CS-WAA0219, DTXCID4037740, L-(-)-Lactic Acid Methyl Ester, (S)-(+)-lactic acid methyl ester, (S)-(+)- lactic acid methyl ester, AKOS024437765, FM14250, AS-10665, (2S)-2-Hydroxypropionic acid methyl ester, DB-003713, L0163, EN300-153431, (-)-Methyl L-lactate, analytical reference material, Q27156697, Methyl (S)-(-)-lactate, L-(-)-Lactic Acid Methyl Ester, (-)-Methyl L-lactate, 98%, optical purity ee: 97% (GLC) |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 7.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 69.3 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | methyl (2S)-2-hydroxypropanoate |
| Prediction Hob | 1.0 |
| Xlogp | -0.1 |
| Molecular Formula | C4H8O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LPEKGGXMPWTOCB-VKHMYHEASA-N |
| Fcsp3 | 0.75 |
| Logs | 0.709 |
| Rotatable Bond Count | 2.0 |
| Logd | -0.356 |
| Compound Name | methyl (S)-lactate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 104.047 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 104.047 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 104.1 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.26525099999999985 |
| Inchi | InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3/t3-/m0/s1 |
| Smiles | C[C@@H](C(=O)OC)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gypsophila Oldhamiana (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Stephania Delavayi (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Uvaria Narum (Plant) Rel Props:Source_db:cmaup_ingredients