247922-10-7
B-D-GALACTOPYRANOSIDE, ETHYL 2,3,6-TRIS-O-(PHENYLMETHYL)-1-THIO-, 4-METHOXYBENZOATE
NameB-D-GALACTOPYRANOSIDE, ETHYL 2,3,6-TRIS-O-(PHENYLMETHYL)-1-THIO-, 4-METHOXYBENZOATE
1Identification
【Name】
B-D-GALACTOPYRANOSIDE, ETHYL 2,3,6-TRIS-O-(PHENYLMETHYL)-1-THIO-, 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD13182860
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C37H40O7S
【pro_molWeight】
628.782
【Inchi】
InChI=1S/C37H40O7S/c1-3-45-37-35(42-25-29-17-11-6-12-18-29)34(41-24-28-15-9-5-10-16-28)33(44-36(38)30-19-21-31(39-2)22-20-30)32(43-37)26-40-23-27-13-7-4-8-14-27/h4-22,32-35,37H,3,23-26H2,1-2H3/t32-,33+,34+,35-,37+/m1/s1
【InChIKey】
InChIKey=RJVXFIXDRMNQKW-COTSBLAFSA-N
【SMILES】
CCS[C@@H]1O[C@H](COCC2=CC=CC=C2)[C@H](OC(=O)C2=CC=C(OC)C=C2)[C@H](OCC2=CC=CC=C2)[C@H]1OCC1=CC=CC=C1
【MOL File】
B-D-GALACTOPYRANOSID….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:7
XLogP3:6.0327
Bulk/Fine:F
3MaterialMSDS
4CMLFile
B-D-GALACTOPYRANOSIDE, ETHYL 2,3,6-TRIS-O-(PHENYLMETHYL)-1-THIO-, 4-METHOXYBENZOATE.cml