215032-02-3
N-(9-((3R,4S,5R)-5-((BIS(4-METHOXYPHENYL)(PHENYL)METHOXY)METHYL)-4-HYDROXYTETRAHYDROFURAN-3-YL)-9H-PURIN-6-YL)BENZAMIDE
NameN-(9-((3R,4S,5R)-5-((BIS(4-METHOXYPHENYL)(PHENYL)METHOXY)METHYL)-4-HYDROXYTETRAHYDROFURAN-3-YL)-9H-PURIN-6-YL)BENZAMIDE
1Identification
【Name】
N-(9-((3R,4S,5R)-5-((BIS(4-METHOXYPHENYL)(PHENYL)METHOXY)METHYL)-4-HYDROXYTETRAHYDROFURAN-3-YL)-9H-PURIN-6-YL)BENZAMIDE
【CAS】
【MDL】
MFCD11505856
【English Synonyms】
【Formula】
C38 H35 N5 O6
【MolWeight】
657.724
【Inchi】
InChI=1S/C38H35N5O6/c1-46-29-17-13-27(14-18-29)38(26-11-7-4-8-12-26,28-15-19-30(47-2)20-16-28)49-22-32-34(44)31(21-48-32)43-24-41-33-35(39-23-40-36(33)43)42-37(45)25-9-5-3-6-10-25/h3-20,23-24,31-32,34,44H,21-22H2,1-2H3,(H,39,40,42,45)/t31-,32-,34+/m1/s1
【InChIKey】
InChIKey=FRCQLEFCQHQSFY-JMMYRPRQSA-N
【SMILES】
COc1ccc(cc1)C(c2ccccc2)(c3ccc(cc3)OC)OC[C@@H]4[C@H]([C@@H](CO4)n5cnc6c5ncnc6NC(=O)c7ccccc7)O
【MOL File】
N-(9-((3R,4S,5R)-5-(….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:11
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(9-((3R,4S,5R)-5-((BIS(4-METHOXYPHENYL)(PHENYL)METHOXY)METHYL)-4-HYDROXYTETRAHYDROFURAN-3-YL)-9H-PURIN-6-YL)BENZAMIDE.cml