136098-08-3
2-AMINOSULFONATE-2-DEOXY-4-O-(BETA-D-GLUCO-4-ENEPYRANOSYLURONIC ACID)-D-GLUCOSAMINE, 2NA
Name2-AMINOSULFONATE-2-DEOXY-4-O-(BETA-D-GLUCO-4-ENEPYRANOSYLURONIC ACID)-D-GLUCOSAMINE, 2NA
pro_formulaC12 H17 N O13 S . 2 Na
1Identification
【Name】
2-AMINOSULFONATE-2-DEOXY-4-O-(BETA-D-GLUCO-4-ENEPYRANOSYLURONIC ACID)-D-GLUCOSAMINE, 2NA
【CAS】
【MDL】
MFCD00466935
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C12 H17 N O13 S . 2 Na
【pro_molWeight】
461.306
【Inchi】
InChI=1S/C12H19NO13S.2Na/c14-2-5-9(8(17)6(11(20)24-5)13-27(21,22)23)26-12-7(16)3(15)1-4(25-12)10(18)19;;/h1,3,5-9,11-17,20H,2H2,(H,18,19)(H,21,22,23);;/q;2*+1/p-2/t3-,5+,6+,7+,8+,9+,11?,12-;;/m0../s1
【InChIKey】
InChIKey=UGJJJEXZLWCXLZ-HGOXMNNESA-L
【SMILES】
C1=C(O[C@H]([C@@H]([C@H]1O)O)O[C@@H]2[C@H](OC([C@@H]([C@H]2O)NS(=O)(=O)[O-])O)CO)C(=O)[O-].[Na+].[Na+]
【MOL File】
2-AMINOSULFONATE-2-D….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:6
pro_acceptors:14
XLogP3:-5.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-AMINOSULFONATE-2-DEOXY-4-O-(BETA-D-GLUCO-4-ENEPYRANOSYLURONIC ACID)-D-GLUCOSAMINE, 2NA.cml