850873-43-7
A-D-MANNOPYRANOSIDE, ETHYL 2,3,6-TRIS-O-(PHENYLMETHYL)-1-THIO-, 4-METHOXYBENZOATE
Name
A-D-MANNOPYRANOSIDE, ETHYL 2,3,6-TRIS-O-(PHENYLMETHYL)-1-THIO-, 4-METHOXYBENZOATE
Formula
C37H40O7S
MolWeight
628.782
1Identification
【Name】
A-D-MANNOPYRANOSIDE, ETHYL 2,3,6-TRIS-O-(PHENYLMETHYL)-1-THIO-, 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD13182844
【English Synonyms】
【Formula】
C37H40O7S
【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-NONZCTIASA-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】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:6.0327
Bulk/Fine:F