Cas no 62386-31-6 (Butanoic acid, 2,4,4-trihydroxy-, (S)-)
62386-31-6 structure
Product Name:Butanoic acid, 2,4,4-trihydroxy-, (S)-
CAS No:62386-31-6
MF:C4H8O5
MW:136.103322029114
CID:446646
PubChem ID:71386907
Update Time:2025-04-19
Butanoic acid, 2,4,4-trihydroxy-, (S)- Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 2,4,4-trihydroxy-, (S)-
- (2S)-2,4,4-trihydroxybutanoic acid
- 62386-31-6
- SCHEMBL14802258
- DTXSID60809051
-
- Inchi： 1S/C4H8O5/c5-2(4(8)9)1-3(6)7/h2-3,5-7H,1H2,(H,8,9)/t2-/m0/s1
- InChI Key： WLBZSUDERATLNN-REOHCLBHSA-N
- SMILES： O[C@H](C(=O)O)CC(O)O
Computed Properties
- Exact Mass: 136.03714
- Monoisotopic Mass: 136.03717335g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 99.1
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.7
- Topological Polar Surface Area: 98?2
Experimental Properties
- PSA: 97.99
Butanoic acid, 2,4,4-trihydroxy-, (S)- Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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