0BT

1-{2-deoxy-3,5-O-[(4-iodophenyl)(phosphono)methylidene]-beta-D-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione



Chemical Component Summary

Name1-{2-deoxy-3,5-O-[(4-iodophenyl)(phosphono)methylidene]-beta-D-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione
Identifiers[(2R,4aR,6R,7aR)-2-(4-iodophenyl)-6-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-2-yl]phosphonic acid
FormulaC17 H18 I N2 O8 P
Molecular Weight536.212
TypeNON-POLYMER
Isomeric SMILESCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]3[C@H](O2)CO[C@@](O3)(c4ccc(cc4)I)P(=O)(O)O
InChIInChI=1S/C17H18IN2O8P/c1-9-7-20(16(22)19-15(9)21)14-6-12-13(27-14)8-26-17(28-12,29(23,24)25)10-2-4-11(18)5-3-10/h2-5,7,12-14H,6,8H2,1H3,(H,19,21,22)(H2,23,24,25)/t12-,13-,14-,17-/m1/s1
InChIKeyCXQVVVNMWAGPGY-VMUDFCTBSA-N

Chemical Details

Formal Charge0
Atom Count47
Chiral Atom Count4
Bond Count50
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 77232198