Cas no 157297-02-4 (D-Glucose,2-deoxy-2-(sulfoamino)-, 3,6-bis(hydrogen sulfate), trisodium salt (9CI))
157297-02-4 structure
Product Name:D-Glucose,2-deoxy-2-(sulfoamino)-, 3,6-bis(hydrogen sulfate), trisodium salt (9CI)
CAS No:157297-02-4
MF:C6H10NNa3O14S3
MW:485.306211948395
CID:107735
PubChem ID:102602286
Update Time:2025-04-18
D-Glucose,2-deoxy-2-(sulfoamino)-, 3,6-bis(hydrogen sulfate), trisodium salt (9CI) Chemical and Physical Properties
Names and Identifiers
-
- D-Glucose,2-deoxy-2-(sulfoamino)-, 3,6-bis(hydrogen sulfate), trisodium salt (9CI)
- D-GLUCOSAMINE-2,3,6-TRISULFATE, TRISODIUM SALT
- D-Glucosamine N2,3,6-trisulfate sodium salt
- Fenoxanil,Pestanal
- GLCN-(2S,3S,6S), 3NA
- D-GLUCOSAMINE-2-N,3-O-,6-O-TRISULPHATE (3NA)
- D-glucosamine N(sup 2)-3,6-trisulfate sodium
- 2-Deoxy-2-(sulfoamino)-D-glucose 3,6-bis(hydrogen sulfate) trisodium salt
- 157297-02-4
- trisodium;[(3R,4R,5R,6R)-2,5-dihydroxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-4-yl] sulfate
- D-Glucosamine-2,3,6-trisulfate,trisodium salt
- Fenoxanil, Pestanal
- D-Glucosamine N2,3,6-trisulfate sodium salt
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- Inchi： 1S/C6H13NO14S3.3Na/c8-4-2(1-19-23(13,14)15)20-6(9)3(7-22(10,11)12)5(4)21-24(16,17)18;;;/h2-9H,1H2,(H,10,11,12)(H,13,14,15)(H,16,17,18);;;/q;3*+1/p-3/t2-,3-,4-,5-,6?;;;/m1.../s1
- InChI Key： PCRDKLPBWDHGMF-FRWAFGSFSA-K
- SMILES： S(N[C@H]1C(O)O[C@H](COS(=O)(=O)[O-])[C@H]([C@@H]1OS(=O)(=O)[O-])O)(=O)(=O)[O-].[Na+].[Na+].[Na+]
Computed Properties
- Exact Mass: 484.89600
- Monoisotopic Mass: 484.89565036g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 15
- Heavy Atom Count: 27
- Rotatable Bond Count: 4
- Complexity: 685
- Covalently-Bonded Unit Count: 4
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 277?2
Experimental Properties
- PSA: 276.92000
- LogP: -1.56160
D-Glucose,2-deoxy-2-(sulfoamino)-, 3,6-bis(hydrogen sulfate), trisodium salt (9CI) Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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