847551-49-9
5-IODO-7-(2-C-METHYL-BETA-D-RIBOFURANOSYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE
Name5-IODO-7-(2-C-METHYL-BETA-D-RIBOFURANOSYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE
1Identification
【Name】
5-IODO-7-(2-C-METHYL-BETA-D-RIBOFURANOSYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE
【CAS】
【MDL】
MFCD17017898
【English Synonyms】
【Formula】
C12 H15 I N4 O4
【MolWeight】
406.174
【Inchi】
InChI=1S/C12H15IN4O4/c1-12(20)8(19)6(3-18)21-11(12)17-2-5(13)7-9(14)15-4-16-10(7)17/h2,4,6,8,11,18-20H,3H2,1H3,(H2,14,15,16)/t6-,8-,11-,12-/m1/s1
【InChIKey】
InChIKey=VDPOJGOZLKLNFY-YUTYNTIBSA-N
【SMILES】
C[C@]1([C@@H]([C@H](O[C@H]1n2cc(c3c2ncnc3N)I)CO)O)O
【MOL File】
5-IODO-7-(2-C-METHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:8
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-IODO-7-(2-C-METHYL-BETA-D-RIBOFURANOSYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE.cml