65236-84-2
B-D-MANNOPYRANOSIDE, PHENYL 1-THIO-, TETRABENZOATE
NameB-D-MANNOPYRANOSIDE, PHENYL 1-THIO-, TETRABENZOATE
1Identification
【Name】
B-D-MANNOPYRANOSIDE, PHENYL 1-THIO-, TETRABENZOATE
【CAS】
【MDL】
MFCD13182636
【English Synonyms】
【Formula】
C40H32O9S
【MolWeight】
688.75
【Inchi】
InChI=1S/C40H32O9S/c41-36(27-16-6-1-7-17-27)45-26-32-33(47-37(42)28-18-8-2-9-19-28)34(48-38(43)29-20-10-3-11-21-29)35(49-39(44)30-22-12-4-13-23-30)40(46-32)50-31-24-14-5-15-25-31/h1-25,32-35,40H,26H2/t32-,33-,34+,35+,40+/m1/s1
【InChIKey】
InChIKey=LQHXMOXAHUOIQL-RUCLJMRASA-N
【SMILES】
O=C(OC[C@H]1O[C@@H](SC2=CC=CC=C2)[C@@H](OC(=O)C2=CC=CC=C2)[C@@H](OC(=O)C2=CC=CC=C2)[C@@H]1OC(=O)C1=CC=CC=C1)C1=CC=CC=C1
【MOL File】
B-D-MANNOPYRANOSIDE,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:9
XLogP3:7.2956
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
B-D-MANNOPYRANOSIDE, PHENYL 1-THIO-, TETRABENZOATE.cml