634197-72-1
B-D-GLUCOPYRANOSIDE, 4-METHYLPHENYL 6-O-(PHENYLMETHYL)-1-THIO-, 2,3-DIBENZOATE
NameB-D-GLUCOPYRANOSIDE, 4-METHYLPHENYL 6-O-(PHENYLMETHYL)-1-THIO-, 2,3-DIBENZOATE
1Identification
【Name】
B-D-GLUCOPYRANOSIDE, 4-METHYLPHENYL 6-O-(PHENYLMETHYL)-1-THIO-, 2,3-DIBENZOATE
【CAS】
【MDL】
MFCD13182808
【English Synonyms】
【Formula】
C34H32O7S
【MolWeight】
584.686
【Inchi】
InChI=1S/C34H32O7S/c1-23-17-19-27(20-18-23)42-34-31(41-33(37)26-15-9-4-10-16-26)30(40-32(36)25-13-7-3-8-14-25)29(35)28(39-34)22-38-21-24-11-5-2-6-12-24/h2-20,28-31,34-35H,21-22H2,1H3/t28-,29-,30+,31-,34+/m1/s1
【InChIKey】
InChIKey=NFKPLDMFJPXBCA-WVXFORMLSA-N
【SMILES】
CC1=CC=C(S[C@@H]2O[C@H](COCC3=CC=CC=C3)[C@@H](O)[C@H](OC(=O)C3=CC=CC=C3)[C@H]2OC(=O)C2=CC=CC=C2)C=C1
【MOL File】
B-D-GLUCOPYRANOSIDE,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:6.179
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
B-D-GLUCOPYRANOSIDE, 4-METHYLPHENYL 6-O-(PHENYLMETHYL)-1-THIO-, 2,3-DIBENZOATE.cml