596087-11-5
1-DEOXY-1-[(4-METHYLPHENYL)SULFINYL]-2,3,4,6-TETRAKIS-O-(PHENYLMETHYL)-B-D-GALACTOPYRANOSE
Name
1-DEOXY-1-[(4-METHYLPHENYL)SULFINYL]-2,3,4,6-TETRAKIS-O-(PHENYLMETHYL)-B-D-GALACTOPYRANOSE
Formula
C41H42O6S
MolWeight
662.843
1Identification
【Name】
1-DEOXY-1-[(4-METHYLPHENYL)SULFINYL]-2,3,4,6-TETRAKIS-O-(PHENYLMETHYL)-B-D-GALACTOPYRANOSE
【CAS】
【MDL】
MFCD13182587
【English Synonyms】
【Formula】
C41H42O6S
【MolWeight】
662.843
【Inchi】
InChI=1S/C41H42O6S/c1-31-22-24-36(25-23-31)48(42)41-40(46-29-35-20-12-5-13-21-35)39(45-28-34-18-10-4-11-19-34)38(44-27-33-16-8-3-9-17-33)37(47-41)30-43-26-32-14-6-2-7-15-32/h2-25,37-41H,26-30H2,1H3/t37-,38+,39+,40-,41+,48?/m1/s1
【InChIKey】
InChIKey=LQMFFTUOQUWKSN-ZUQAMKBOSA-N
【SMILES】
CC1=CC=C(C=C1)S(=O)[C@@H]1O[C@H](COCC2=CC=CC=C2)[C@H](OCC2=CC=CC=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:6
XLogP3:0.0
Bulk/Fine:F