0TT

1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-[[(5R)-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-methyl-2,4-bis(oxidanylidene)-1,3-diazinan-5-yl]methyl]pyrimidine-2,4-dione

Created:2012-06-10
Last modified:  2012-06-10

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Chemical Details

Formal Charge0
Atom Count62
Chiral Atom Count7
Bond Count65
Aromatic Bond Count0
2D diagram of 0TT
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Chemical Component Summary

Name1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-[[(5R)-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-methyl-2,4-bis(oxidanylidene)-1,3-diazinan-5-yl]methyl]pyrimidine-2,4-dione
Systematic Name (OpenEye OEToolkits)1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-[[(5R)-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-methyl-2,4-bis(oxidanylidene)-1,3-diazinan-5-yl]methyl]pyrimidine-2,4-dione
FormulaC20 H28 N4 O10
Molecular Weight484.457
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C1N(C=C(C(=O)N1)CC2(C(=O)NC(=O)N(C2)C3OC(C(O)C3)CO)C)C4OC(CO)C(O)C4
SMILESCACTVS3.370C[C]1(CN([CH]2C[CH](O)[CH](CO)O2)C(=O)NC1=O)CC3=CN([CH]4C[CH](O)[CH](CO)O4)C(=O)NC3=O
SMILESOpenEye OEToolkits1.7.6CC1(CN(C(=O)NC1=O)C2CC(C(O2)CO)O)CC3=CN(C(=O)NC3=O)C4CC(C(O4)CO)O
Canonical SMILESCACTVS3.370 C[C@]1(CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O)CC3=CN([C@H]4C[C@H](O)[C@@H](CO)O4)C(=O)NC3=O
Canonical SMILESOpenEye OEToolkits1.7.6 C[C@]1(CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O)CC3=CN(C(=O)NC3=O)[C@H]4C[C@@H]([C@H](O4)CO)O
InChIInChI1.03 InChI=1S/C20H28N4O10/c1-20(8-24(19(32)22-17(20)30)15-3-11(28)13(7-26)34-15)4-9-5-23(18(31)21-16(9)29)14-2-10(27)12(6-25)33-14/h5,10-15,25-28H,2-4,6-8H2,1H3,(H,21,29,31)(H,22,30,32)/t10-,11-,12+,13+,14+,15+,20+/m0/s1
InChIKeyInChI1.03 WCJUEZCRTGBSQU-BZMYHREGSA-N

Related Resource References

Resource NameReference
PubChem 57383483