2ID

[(1R,2S,4S,5S)-4-[2-iodo-6-(methylamino)-9H-purin-9-yl]-2-(phosphonooxy)bicyclo[3.1.0]hex-1-yl]methyl dihydrogen phosphate



Chemical Component Summary

Name[(1R,2S,4S,5S)-4-[2-iodo-6-(methylamino)-9H-purin-9-yl]-2-(phosphonooxy)bicyclo[3.1.0]hex-1-yl]methyl dihydrogen phosphate
Identifiers[(1R,2S,4S,5S)-4-[2-iodanyl-6-(methylamino)purin-9-yl]-2-phosphonooxy-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate
FormulaC13 H18 I N5 O8 P2
Molecular Weight561.163
TypeNON-POLYMER
Isomeric SMILESCNc1c2c(nc(n1)I)n(cn2)[C@H]3C[C@@H]([C@]4([C@@H]3C4)COP(=O)(O)O)OP(=O)(O)O
InChIInChI=1S/C13H18IN5O8P2/c1-15-10-9-11(18-12(14)17-10)19(5-16-9)7-2-8(27-29(23,24)25)13(3-6(7)13)4-26-28(20,21)22/h5-8H,2-4H2,1H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t6-,7+,8+,13+/m1/s1
InChIKeyNMVWLEUONAKGCD-SMWKGLLFSA-N

Chemical Details

Formal Charge0
Atom Count47
Chiral Atom Count4
Bond Count50
Aromatic Bond Count10

Related Resource References

Resource NameReference
Pharos CHEMBL444278
PubChem 44448831
ChEMBL CHEMBL444278