5987-76-8
6-CHLORO-2-IODO-9-(2',3',5'-TRI-O-ACETYL-BETA-D-RIBOFURANOSYL)PURINE
Name6-CHLORO-2-IODO-9-(2',3',5'-TRI-O-ACETYL-BETA-D-RIBOFURANOSYL)PURINE
FormulaC16 H16 Cl I N4 O7
1Identification
【Name】
6-CHLORO-2-IODO-9-(2',3',5'-TRI-O-ACETYL-BETA-D-RIBOFURANOSYL)PURINE
【CAS】
【MDL】
MFCD03701153
【English Synonyms】
【Formula】
C16 H16 Cl I N4 O7
【MolWeight】
538.676
【Inchi】
InChI=1S/C16H16ClIN4O7/c1-6(23)26-4-9-11(27-7(2)24)12(28-8(3)25)15(29-9)22-5-19-10-13(17)20-16(18)21-14(10)22/h5,9,11-12,15H,4H2,1-3H3/t9-,11-,12-,15-/m1/s1
【InChIKey】
InChIKey=BYOJIJDSBSWKKE-SDBHATRESA-N
【SMILES】
CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3Cl)I)OC(=O)C)OC(=O)C
【MOL File】
6-CHLORO-2-IODO-9-(2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:11
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-CHLORO-2-IODO-9-(2',3',5'-TRI-O-ACETYL-BETA-D-RIBOFURANOSYL)PURINE.cml