Cas no 93839-96-4 (b-D-Glucopyranose, 1-(dihydrogenphosphate), monosodium salt (9CI))
93839-96-4 structure
Product Name:b-D-Glucopyranose, 1-(dihydrogenphosphate), monosodium salt (9CI)
CAS No:93839-96-4
MF:C6H12NaO9P
MW:282.117614746094
CID:815401
PubChem ID:44147794
Update Time:2025-04-19
b-D-Glucopyranose, 1-(dihydrogenphosphate), monosodium salt (9CI) Chemical and Physical Properties
Names and Identifiers
-
- b-D-Glucopyranose, 1-(dihydrogenphosphate), monosodium salt (9CI)
- beta-d-Glucopyranose, 1-(dihydrogen phosphate), monosodium salt
- sodium,(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phosphonooxyoxan-3-olate
- EINECS 298-870-1
- 93839-96-4
- Beta-D-glucopyranose,1-(dihydrogen phosphate),monosodium salt
-
- Inchi： 1S/C6H12O9P.Na/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13;/h2-9H,1H2,(H2,11,12,13);/q-1;+1/t2-,3-,4+,5-,6+;/m1./s1
- InChI Key： BFHRXGJIQBHJGH-WNFIKIDCSA-N
- SMILES： P(=O)(O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)[O-].[Na+]
Computed Properties
- Exact Mass: 282.01166324g/mol
- Monoisotopic Mass: 282.01166324g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 283
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 160?2
b-D-Glucopyranose, 1-(dihydrogenphosphate), monosodium salt (9CI) Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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