179112-79-9
9-(2', 3', 5'-TRI-O-BENZOYL-BETA-L-RIBOFURANOSYL)-6-CHLOROPURINE
Name
9-(2', 3', 5'-TRI-O-BENZOYL-BETA-L-RIBOFURANOSYL)-6-CHLOROPURINE
Formula
C31 H23 Cl N4 O7
MolWeight
598.997
1Identification
【Name】
9-(2', 3', 5'-TRI-O-BENZOYL-BETA-L-RIBOFURANOSYL)-6-CHLOROPURINE
【CAS】
【MDL】
MFCD10566690
【English Synonyms】
【Formula】
C31 H23 Cl N4 O7
【MolWeight】
598.997
【Inchi】
InChI=1S/C31H23ClN4O7/c32-26-23-27(34-17-33-26)36(18-35-23)28-25(43-31(39)21-14-8-3-9-15-21)24(42-30(38)20-12-6-2-7-13-20)22(41-28)16-40-29(37)19-10-4-1-5-11-19/h1-15,17-18,22,24-25,28H,16H2/t22-,24-,25-,28-/m0/s1
【InChIKey】
InChIKey=ICXJNBAYBXYBLB-SRVGMEOJSA-N
【SMILES】
c1ccc(cc1)C(=O)OC[C@H]2[C@@H]([C@@H]([C@H](O2)n3cnc4c3ncnc4Cl)OC(=O)c5ccccc5)OC(=O)c6ccccc6
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:11
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
9-(2', 3', 5'-TRI-O-BENZOYL-BETA-L-RIBOFURANOSYL)-6-CHLOROPURINE.cml
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