3JY

[(1R)-2-methoxy-1-{[(1S,3R)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclopentyl]oxy}-2-oxoethyl]phosphonic acid

Created: 2014-08-28
Last modified:  2015-03-11

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Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count3
Bond Count44
Aromatic Bond Count0
2D diagram of 3JY
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Chemical Component Summary

Name[(1R)-2-methoxy-1-{[(1S,3R)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclopentyl]oxy}-2-oxoethyl]phosphonic acid
Systematic Name (OpenEye OEToolkits)[(1R)-2-methoxy-1-[(1S,3R)-3-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]cyclopentyl]oxy-2-oxidanylidene-ethyl]phosphonic acid
FormulaC13 H19 N2 O8 P
Molecular Weight362.272
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=C(OC)C(OC2CC(N1C=C(C(=O)NC1=O)C)CC2)P(=O)(O)O
SMILESCACTVS3.385COC(=O)[CH](O[CH]1CC[CH](C1)N2C=C(C)C(=O)NC2=O)[P](O)(O)=O
SMILESOpenEye OEToolkits1.7.6CC1=CN(C(=O)NC1=O)C2CCC(C2)OC(C(=O)OC)P(=O)(O)O
Canonical SMILESCACTVS3.385 COC(=O)[C@H](O[C@H]1CC[C@H](C1)N2C=C(C)C(=O)NC2=O)[P](O)(O)=O
Canonical SMILESOpenEye OEToolkits1.7.6 CC1=CN(C(=O)NC1=O)[C@@H]2CC[C@@H](C2)O[C@@H](C(=O)OC)P(=O)(O)O
InChIInChI1.03 InChI=1S/C13H19N2O8P/c1-7-6-15(13(18)14-10(7)16)8-3-4-9(5-8)23-12(11(17)22-2)24(19,20)21/h6,8-9,12H,3-5H2,1-2H3,(H,14,16,18)(H2,19,20,21)/t8-,9+,12-/m1/s1
InChIKeyInChI1.03 VZWKSNLNIFIGPO-VDDIYKPWSA-N

Related Resource References

Resource NameReference
PubChem 137348148