289057-12-1
A-D-MANNOPYRANOSIDE, ETHYL 2,4,6-TRIS-O-(PHENYLMETHYL)-1-THIO-
Name
A-D-MANNOPYRANOSIDE, ETHYL 2,4,6-TRIS-O-(PHENYLMETHYL)-1-THIO-
Formula
C29H34O5S
MolWeight
494.649
1Identification
【Name】
A-D-MANNOPYRANOSIDE, ETHYL 2,4,6-TRIS-O-(PHENYLMETHYL)-1-THIO-
【CAS】
【MDL】
MFCD13182935
【English Synonyms】
【Formula】
C29H34O5S
【MolWeight】
494.649
【Inchi】
InChI=1S/C29H34O5S/c1-2-35-29-28(33-20-24-16-10-5-11-17-24)26(30)27(32-19-23-14-8-4-9-15-23)25(34-29)21-31-18-22-12-6-3-7-13-22/h3-17,25-30H,2,18-21H2,1H3/t25-,26+,27-,28+,29-/m1/s1
【InChIKey】
InChIKey=BLEKONIUPDUQSX-FYYQJAJYSA-N
【SMILES】
CCS[C@H]1O[C@H](COCC2=CC=CC=C2)[C@@H](OCC2=CC=CC=C2)[C@H](O)[C@@H]1OCC1=CC=CC=C1
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:5.1913
Bulk/Fine:F