138906-44-2
4-METHOXYPHENYL 3-O-BENZYL-2-DEOXY-2-PHTHALIMIDO-BETA-D-GLUCOPYRANOSIDE
Name4-METHOXYPHENYL 3-O-BENZYL-2-DEOXY-2-PHTHALIMIDO-BETA-D-GLUCOPYRANOSIDE
1Identification
【Name】
4-METHOXYPHENYL 3-O-BENZYL-2-DEOXY-2-PHTHALIMIDO-BETA-D-GLUCOPYRANOSIDE
【CAS】
【MDL】
MFCD08276390
【English Synonyms】
【Formula】
C28 H27 N O8
【MolWeight】
505.52
【Inchi】
InChI=1S/C28H27NO8/c1-34-18-11-13-19(14-12-18)36-28-23(29-26(32)20-9-5-6-10-21(20)27(29)33)25(24(31)22(15-30)37-28)35-16-17-7-3-2-4-8-17/h2-14,22-25,28,30-31H,15-16H2,1H3/t22-,23-,24-,25-,28-/m1/s1
【InChIKey】
InChIKey=ZWFNEOGZZUQQDV-JWJHGQTKSA-N
【SMILES】
COc1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)OCc3ccccc3)N4C(=O)c5ccccc5C4=O
【MOL File】
4-METHOXYPHENYL 3-O-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:9
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-METHOXYPHENYL 3-O-BENZYL-2-DEOXY-2-PHTHALIMIDO-BETA-D-GLUCOPYRANOSIDE.cml