87019-31-6
CARBOMETHOXYETHYLTHIOETHYL 2-ACETAMIDO-2-DEOXY-4-O-(BETA-D-GALACTOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE
NameCARBOMETHOXYETHYLTHIOETHYL 2-ACETAMIDO-2-DEOXY-4-O-(BETA-D-GALACTOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE
pro_formulaC20 H35 N O13 S
1Identification
【Name】
CARBOMETHOXYETHYLTHIOETHYL 2-ACETAMIDO-2-DEOXY-4-O-(BETA-D-GALACTOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE
【CAS】
【MDL】
MFCD00054952
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C20 H35 N O13 S
【pro_molWeight】
529.557
【Inchi】
InChI=1S/C20H35NO13S/c1-9(24)21-13-15(27)18(34-20-17(29)16(28)14(26)10(7-22)32-20)11(8-23)33-19(13)31-4-6-35-5-3-12(25)30-2/h10-11,13-20,22-23,26-29H,3-8H2,1-2H3,(H,21,24)/t10-,11-,13-,14+,15-,16+,17-,18-,19-,20+/m1/s1
【InChIKey】
InChIKey=SOTZBTNFTFOSAI-DWCRUEOISA-N
【SMILES】
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCCSCCC(=O)OC)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O
【MOL File】
CARBOMETHOXYETHYLTHI….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:7
pro_acceptors:14
XLogP3:-4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
CARBOMETHOXYETHYLTHIOETHYL 2-ACETAMIDO-2-DEOXY-4-O-(BETA-D-GALACTOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE.cml