810687-38-8
A-D-MANNOPYRANOSIDE, PHENYL 2,3-BIS-O-(PHENYLMETHYL)-4,6-O-[(R)-PHENYLMETHYLENE]-1-THIO-, LABELED WITH DEUTERIUM
Name
A-D-MANNOPYRANOSIDE, PHENYL 2,3-BIS-O-(PHENYLMETHYL)-4,6-O-[(R)-PHENYLMETHYLENE]-1-THIO-, LABELED WITH DEUTERIUM
Formula
C33H32O5S
MolWeight
541.683
1Identification
【Name】
A-D-MANNOPYRANOSIDE, PHENYL 2,3-BIS-O-(PHENYLMETHYL)-4,6-O-[(R)-PHENYLMETHYLENE]-1-THIO-, LABELED WITH DEUTERIUM
【CAS】
【MDL】
MFCD13182672
【English Synonyms】
【Formula】
C33H32O5S
【MolWeight】
541.683
【Inchi】
InChI=1S/C33H32O5S/c1-5-13-24(14-6-1)21-34-30-29-28(23-36-32(38-29)26-17-9-3-10-18-26)37-33(39-27-19-11-4-12-20-27)31(30)35-22-25-15-7-2-8-16-25/h1-20,28-33H,21-23H2/t28-,29-,30+,31+,32-,33-/m1/s1/i4D
【InChIKey】
InChIKey=KDTRYCJSIFGZHI-YFAPZJDNSA-N
【SMILES】
[2H]C1=CC=C(S[C@H]2O[C@@H]3CO[C@H](O[C@H]3[C@H](OCC3=CC=CC=C3)[C@@H]2OCC2=CC=CC=C2)C2=CC=CC=C2)C=C1
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F