210357-37-2
4-METHYLUMBELLIFERYL 6-SULFO-2-ACETAMIDO-2-DEOXY-ALPHA-D-GLUCOPYRANOSIDE, POTASSIUM SALT
Name4-METHYLUMBELLIFERYL 6-SULFO-2-ACETAMIDO-2-DEOXY-ALPHA-D-GLUCOPYRANOSIDE, POTASSIUM SALT
pro_formulaC18 H20 N O11 S . K
1Identification
【Name】
4-METHYLUMBELLIFERYL 6-SULFO-2-ACETAMIDO-2-DEOXY-ALPHA-D-GLUCOPYRANOSIDE, POTASSIUM SALT
【CAS】
【MDL】
MFCD00797620
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C18 H20 N O11 S . K
【pro_molWeight】
497.516
【Inchi】
InChI=1S/C18H21NO11S.K/c1-8-5-14(21)29-12-6-10(3-4-11(8)12)28-18-15(19-9(2)20)17(23)16(22)13(30-18)7-27-31(24,25)26;/h3-6,13,15-18,22-23H,7H2,1-2H3,(H,19,20)(H,24,25,26);/q;+1/p-1/t13-,15-,16-,17-,18+;/m1./s1
【InChIKey】
InChIKey=TYSZCFCWZWWIHC-FBFKMQNYSA-M
【SMILES】
Cc1cc(=O)oc2c1ccc(c2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COS(=O)(=O)[O-])O)O)NC(=O)C.[K+]
【MOL File】
4-METHYLUMBELLIFERYL….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:3
pro_acceptors:12
XLogP3:-2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-METHYLUMBELLIFERYL 6-SULFO-2-ACETAMIDO-2-DEOXY-ALPHA-D-GLUCOPYRANOSIDE, POTASSIUM SALT.cml