688013-63-0
B-D-GALACTOPYRANOSIDE, PHENYL 3,4,6-TRIS-O-(PHENYLMETHYL)-1-THIO-, BENZOATE
NameB-D-GALACTOPYRANOSIDE, PHENYL 3,4,6-TRIS-O-(PHENYLMETHYL)-1-THIO-, BENZOATE
1Identification
【Name】
B-D-GALACTOPYRANOSIDE, PHENYL 3,4,6-TRIS-O-(PHENYLMETHYL)-1-THIO-, BENZOATE
【CAS】
【MDL】
MFCD13182584
【English Synonyms】
【Formula】
C40H38O6S
【MolWeight】
646.8
【Inchi】
InChI=1S/C40H38O6S/c41-39(33-22-12-4-13-23-33)46-38-37(44-28-32-20-10-3-11-21-32)36(43-27-31-18-8-2-9-19-31)35(29-42-26-30-16-6-1-7-17-30)45-40(38)47-34-24-14-5-15-25-34/h1-25,35-38,40H,26-29H2/t35-,36+,37+,38-,40+/m1/s1
【InChIKey】
InChIKey=JBKMJSDNCCAURY-HYOZTURRSA-N
【SMILES】
O=C(O[C@H]1[C@@H](O[C@H](COCC2=CC=CC=C2)[C@H](OCC2=CC=CC=C2)[C@@H]1OCC1=CC=CC=C1)SC1=CC=CC=C1)C1=CC=CC=C1
【MOL File】
B-D-GALACTOPYRANOSID….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:7.1354
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
B-D-GALACTOPYRANOSIDE, PHENYL 3,4,6-TRIS-O-(PHENYLMETHYL)-1-THIO-, BENZOATE.cml