Cas no 55123-32-5 (b-D-Glucofuranuronic acid, g-lactone, 1,2,5-triacetate (9CI))
55123-32-5 structure
Product Name:b-D-Glucofuranuronic acid, g-lactone, 1,2,5-triacetate (9CI)
CAS No:55123-32-5
MF:C12H14O9
MW:302.234164714813
CID:383381
PubChem ID:22812897
Update Time:2025-04-19
b-D-Glucofuranuronic acid, g-lactone, 1,2,5-triacetate (9CI) Chemical and Physical Properties
Names and Identifiers
-
- b-D-Glucofuranuronic acid, g-lactone, 1,2,5-triacetate (9CI)
- [(2S,3R,3aS,6S,6aS)-2,6-diacetyloxy-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-3-yl] acetate
- NSC82035
- NSC-82035
- 55123-32-5
- SCHEMBL10719694
- Furo[3, .beta.-D-glucofuranuronic acid deriv.
- (2S,3R,3aS,6S,6aS)-5-Oxohexahydrofuro[3,2-b]furan-2,3,6-triyl triacetate (non-preferred name)
- .beta.-D-Glucofuranuronic acid, 1,2,5-triacetate
- 1,5-Tri-O-acetyl-.beta.-D-glucofuranurono-6,3-lactone
- DTXSID10628416
-
- Inchi： 1S/C12H14O9/c1-4(13)17-9-7-8(20-11(9)16)10(18-5(2)14)12(21-7)19-6(3)15/h7-10,12H,1-3H3/t7-,8-,9-,10+,12+/m0/s1
- InChI Key： JBXFFCVIQJCKLE-OFKSJOQMSA-N
- SMILES： O1[C@H]([C@@H]([C@@H]2[C@H]1[C@@H](C(=O)O2)OC(C)=O)OC(C)=O)OC(C)=O
Computed Properties
- Exact Mass: 302.06400
- Monoisotopic Mass: 302.06378202g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 21
- Rotatable Bond Count: 6
- Complexity: 485
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.4
- Topological Polar Surface Area: 114?2
Experimental Properties
- PSA: 114.43000
- LogP: -0.93680
b-D-Glucofuranuronic acid, g-lactone, 1,2,5-triacetate (9CI) Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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