958357-68-1
A-L-IDOPYRANOSIDE, PHENYL 4,6-O-[(R)-1-NAPHTHALENYLMETHYLENE]-3-O-(PHENYLMETHYL)-1-THIO-, 2-BENZOATE
Name
A-L-IDOPYRANOSIDE, PHENYL 4,6-O-[(R)-1-NAPHTHALENYLMETHYLENE]-3-O-(PHENYLMETHYL)-1-THIO-, 2-BENZOATE
Formula
C37H32O6S
MolWeight
604.72
1Identification
【Name】
A-L-IDOPYRANOSIDE, PHENYL 4,6-O-[(R)-1-NAPHTHALENYLMETHYLENE]-3-O-(PHENYLMETHYL)-1-THIO-, 2-BENZOATE
【CAS】
【MDL】
MFCD13182641
【English Synonyms】
A-L-IDOPYRANOSIDE, PHENYL 4,6-O-[(R)-1-NAPHTHALENYLMETHYLENE]-3-O-(PHENYLMETHYL)-1-THIO-, 2-BENZOATE
【Formula】
C37H32O6S
【MolWeight】
604.72
【Inchi】
InChI=1S/C37H32O6S/c38-35(27-16-6-2-7-17-27)42-34-33(39-23-25-13-4-1-5-14-25)32-31(41-37(34)44-28-19-8-3-9-20-28)24-40-36(43-32)30-22-12-18-26-15-10-11-21-29(26)30/h1-22,31-34,36-37H,23-24H2/t31-,32+,33-,34+,36+,37-/m0/s1
【InChIKey】
InChIKey=VONKPFDLSCYATB-NHRDDQATSA-N
【SMILES】
O=C(O[C@H]1[C@@H](O[C@H]2CO[C@H](O[C@H]2[C@@H]1OCC1=CC=CC=C1)C1=CC=CC2=C1C=CC=C2)SC1=CC=CC=C1)C1=CC=CC=C1
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:6.0881
Bulk/Fine:F