142217-77-4
(1S,2S,3S,5S)-5-(2-AMINO-6-(BENZYLOXY)-9H-PURIN-9-YL)-3-(BENZYLOXY)-2-(BENZYLOXYMETHYL)CYCLOPENTANOL
Name(1S,2S,3S,5S)-5-(2-AMINO-6-(BENZYLOXY)-9H-PURIN-9-YL)-3-(BENZYLOXY)-2-(BENZYLOXYMETHYL)CYCLOPENTANOL
1Identification
【Name】
(1S,2S,3S,5S)-5-(2-AMINO-6-(BENZYLOXY)-9H-PURIN-9-YL)-3-(BENZYLOXY)-2-(BENZYLOXYMETHYL)CYCLOPENTANOL
【CAS】
【MDL】
MFCD09750977
【English Synonyms】
【Formula】
C32 H33 N5 O4
【MolWeight】
551.644
【Inchi】
InChI=1S/C32H33N5O4/c33-32-35-30-28(31(36-32)41-19-24-14-8-3-9-15-24)34-21-37(30)26-16-27(40-18-23-12-6-2-7-13-23)25(29(26)38)20-39-17-22-10-4-1-5-11-22/h1-15,21,25-27,29,38H,16-20H2,(H2,33,35,36)/t25-,26+,27+,29+/m1/s1
【InChIKey】
InChIKey=SYPCZZWUNIHLBU-COROXYKFSA-N
【SMILES】
c1ccc(cc1)COC[C@@H]2[C@H](C[C@@H]([C@H]2O)n3cnc4c3nc(nc4OCc5ccccc5)N)OCc6ccccc6
【MOL File】
(1S,2S,3S,5S)-5-(2-A….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:9
XLogP3:4.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
(1S,2S,3S,5S)-5-(2-AMINO-6-(BENZYLOXY)-9H-PURIN-9-YL)-3-(BENZYLOXY)-2-(BENZYLOXYMETHYL)CYCLOPENTANOL.cml