Basic information
- CAS
1112-32-9- Standard SMILES
CC(C)(CO)[C@H](O)C(=O)O- InChIKey
OTOIIPJYVQJATP-SCSAIBSYSA-N- Molecular formula
- C6H12O4
- Average molar mass
- 148.16 g/mol
- Monoisotopic mass
- 148.07355886
Names & identifiers
- Preferred name
- (2S)-2,4-dihydroxy-3,3-dimethylbutanoic acid
- IUPAC
- (2S)-2,4-dihydroxy-3,3-dimethylbutanoic acid
- English name
- (2S)-2,4-Dihydroxy-3,3-dimethylbutanoic acid
- Molecular formula
- C6H12O4
- Molecular weight
- 148.16
Names & synonyms
(2S)-2,4-dihydroxy-3,3-dimethylbutanoic acid1112-32-9L-Pantoic acidButanoic acid, 2,4-dihydroxy-3,3-dimethyl-, (2S)-(S)-pantoic acidPantoic acid, (S)-TK2B4SU5J4SCHEMBL29112230DTXSID10422517OTOIIPJYVQJATP-SCSAIBSYSA-NCS-0527781(S)-2,4-Dihydroxy-3,3-dimethylbutanoicacid
Show more names
Dexpanthenol ImpurityPantoic Acid Impurity 4Lactic acid impurity 67Dexpanthenol iMpurity CDexpanthenol Impurity 2 Sodium Salt(S)-2,4-Dihydroxy-3,3-dimethylbutyric acid(S)-2,4-Dihydroxy-3,3-dimethylbutanoic acid[S,(-)]-2,4-Dihydroxy-3,3-dimethylbutyric acid
S-(+)-2,4-Dihydroxy-3,3-dimethylbutyric acidQ55973849
Database identifiers
- CAS
1112-32-9- PubChem CID
- 6323462
- DTXSID
DTXSID10422517
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 130
Physicochemical properties
- Boiling point
- 368.7 · 368.7±27.0 °C(Predicted)
- Density
- 1.259 · 1.259±0.06 g/cm3(Predicted)
- pka
- 3.73 · 3.73±0.27(Predicted)
Chemistry & industry
Suppliers16 total
北京科迈启医药科技有限公司15910349257 15910349257 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
济南启源生物科技有限公司18766124282; 18766124282 · [email protected]
上海昶衍化工科技有限公司021-20242659 18930833303 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
BOC Sciences16314854226 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
深圳市华信医药科技有限公司15671363360 · [email protected]
无锡鸣鹭医药科技有限公司0510-88726693 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
广州市桐晖药业有限公司020-66392521-118 18922260391 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
2 records
Compound notes
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