114869-97-5
A-D-GLUCOPYRANOSIDE, METHYL 4-O-[2-O-ACETYL-6-METHYL-3-O-(PHENYLMETHYL)-A-L-IDOPYRANURONOSYL]-2-DEOXY-2-[[(PHENYLMETHOXY)CARBONYL]AMINO]-3-O-(PHENYLMETHYL)-, 6-ACETATE
Name
A-D-GLUCOPYRANOSIDE, METHYL 4-O-[2-O-ACETYL-6-METHYL-3-O-(PHENYLMETHYL)-A-L-IDOPYRANURONOSYL]-2-DEOXY-2-[[(PHENYLMETHOXY)CARBONYL]AMINO]-3-O-(PHENYLMETHYL)-, 6-ACETATE
Formula
C40 H47 N O15
MolWeight
781.803
1Identification
【Name】
A-D-GLUCOPYRANOSIDE, METHYL 4-O-[2-O-ACETYL-6-METHYL-3-O-(PHENYLMETHYL)-A-L-IDOPYRANURONOSYL]-2-DEOXY-2-[[(PHENYLMETHOXY)CARBONYL]AMINO]-3-O-(PHENYLMETHYL)-, 6-ACETATE
【CAS】
【MDL】
MFCD07778112
【English Synonyms】
【Formula】
C40 H47 N O15
【MolWeight】
781.803
【Inchi】
InChI=1S/C40H47NO15/c1-24(42)49-23-29-32(55-39-36(53-25(2)43)34(31(44)35(56-39)37(45)47-3)51-21-27-16-10-6-11-17-27)33(50-20-26-14-8-5-9-15-26)30(38(48-4)54-29)41-40(46)52-22-28-18-12-7-13-19-28/h5-19,29-36,38-39,44H,20-23H2,1-4H3,(H,41,46)/t29-,30-,31+,32-,33-,34+,35-,36-,38+,39-/m1/s1
【InChIKey】
InChIKey=BGUKEPYIGDENDQ-XTGDPAKNSA-N
【SMILES】
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC)NC(=O)OCc2ccccc2)OCc3ccccc3)O[C@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)C(=O)OC)O)OCc5ccccc5)OC(=O)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:16
XLogP3:3.0
Bulk/Fine:F