Cas no 56246-31-2 (D-chiro-Inositol,1,4-di-O-methyl-)
56246-31-2 structure
Product Name:D-chiro-Inositol,1,4-di-O-methyl-
CAS No:56246-31-2
MF:C8H16O6
MW:208.209043502808
CID:383693
PubChem ID:7099087
Update Time:2025-04-19
D-chiro-Inositol,1,4-di-O-methyl- Chemical and Physical Properties
Names and Identifiers
-
- D-chiro-Inositol,1,4-di-O-methyl-
- (1R,2R,4S,5R)-3,6-dimethoxycyclohexane-1,2,4,5-tetrol
- (+)-Pinpollitol
- Pinpollitol
- D-chiro-Inositol, 1,4-di-O-methyl-
- (1R,2R,3R,4S,5R,6S)-3,6-Dimethoxycyclohexane-1,2,4,5-tetrol
- 1,4-Di-O-Methyl-D-chiro-inositol
- F7PXL3JSY5
- 56246-31-2
- Pinpollitol, (+)-
- SCHEMBL4733898
- DTXSID10427769
- Q7196463
-
- Inchi： 1S/C8H16O6/c1-13-7-3(9)5(11)8(14-2)6(12)4(7)10/h3-12H,1-2H3/t3-,4-,5-,6+,7?,8?/m1/s1
- InChI Key： DYQWYDODKPTUPA-YNJOCIMMSA-N
- SMILES： O(C)C1[C@@H]([C@H](C([C@@H]([C@@H]1O)O)OC)O)O
Computed Properties
- Exact Mass: 208.09468823g/mol
- Monoisotopic Mass: 208.09468823g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 151
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2.6
- Topological Polar Surface Area: 99.4?2
D-chiro-Inositol,1,4-di-O-methyl- Related Literature
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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