Cas no 75081-72-0 (methyl D-sorbosonate)
methyl D-sorbosonate structure
Product Name:methyl D-sorbosonate
CAS No:75081-72-0
MF:C7H12O7
MW:208.165983200073
CID:1772056
PubChem ID:156550
Update Time:2025-04-21
methyl D-sorbosonate Chemical and Physical Properties
Names and Identifiers
-
- methyl D-sorbosonate
- methyl (3R,4S,5R)-3,4,5,6-tetrahydroxy-2-oxohexanoate
- SCHEMBL21913759
- (3R,4S,5R)-Methyl 3,4,5,6-tetrahydroxy-2-oxohexanoate
- DTXSID40226060
- xylo-2-Hexulosonic acid, methyl ester
- 75081-72-0
- Methyl D-xylo-hex-2-ulosonate; Methyl D-sorbosonate; D-xylo-2-Hexulosonic acid methyl ester; 2-Keto-gulonic acid methyl ester; Ascorbic Acid Imp. D (EP)
- 67776-07-2
- KPHIBLNUVRGOGU-MROZADKFSA-N
- AKOS000278062
-
- Inchi： 1S/C7H12O7/c1-14-7(13)6(12)5(11)4(10)3(9)2-8/h3-5,8-11H,2H2,1H3/t3-,4+,5-/m1/s1
- InChI Key： KPHIBLNUVRGOGU-MROZADKFSA-N
- SMILES： O[C@H]([C@H](C(C(=O)OC)=O)O)[C@@H](CO)O
Computed Properties
- Exact Mass: 208.05830272g/mol
- Monoisotopic Mass: 208.05830272g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 214
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2.5
- Topological Polar Surface Area: 124?2
methyl D-sorbosonate Related Literature
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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