[[bis[[methyl(oxo)phosphaniumyl]oxy]phosphoryl-dideuteriomethyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;[[(E)-2-[(2R,3S,5R)-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]-1,2-dideuterioethenyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;1-[(2R,4R,5S)-5-deuteriocarbonyl-3-methoxy-4-methyloxolan-2-yl]pyrimidine-2,4-dione;[[(E)-1,2-dideuterio-2-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]ethenyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;[[(E)-1,2-dideuterio-2-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-methyloxolan-2-yl]ethenyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;1-[(2R,4S,5S)-5-[dideuterio(hydroxy)methyl]-3-methoxy-4-methyloxolan-2-yl]pyrimidine-2,4-dione

C76H116N12O50P16+6 — CID 167532436

IUPAC[[bis[[methyl(oxo)phosphaniumyl]oxy]phosphoryl-dideuteriomethyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;[[(E)-2-[(2R,3S,5R)-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]-1,2-dideuterioethenyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;1-[(2R,4R,5S)-5-deuteriocarbonyl-3-methoxy-4-methyloxolan-2-yl]pyrimidine-2,4-dione;[[(E)-1,2-dideuterio-2-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]ethenyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;[[(E)-1,2-dideuterio-2-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-methyloxolan-2-yl]ethenyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;1-[(2R,4S,5S)-5-[dideuterio(hydroxy)methyl]-3-methoxy-4-methyloxolan-2-yl]pyrimidine-2,4-dione
SMILES[2H]/C(=C(/[2H])P(=O)(COP=O)O[P+](C)=O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(OC)[C@H]1C.[2H]/C(=C(/[2H])P(=O)(COP=O)O[P+](C)=O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(OC)[C@H]1O.[2H]/C(=C(/[2H])P(=O)(COP=O)O[P+](C)=O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(OC)[C@H]1OP(OCCC#N)N(C(C)C)C(C)C.[2H]C(=O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(OC)[C@H]1C.[2H]C([2H])(O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(OC)[C@H]1C.[2H]C([2H])(P(=O)(COP=O)O[P+](C)=O)P(=O)(O[P+](C)=O)O[P+](C)=O
InChIInChI=1S/C22H34N4O11P4.C14H19N2O9P3.C13H17N2O10P3.C11H16N2O5.C11H14N2O5.C5H13O10P6/c1-15(2)26(16(3)4)40(34-12-7-10-23)36-19-17(9-13-41(31,14-33-38-29)37-39(6)30)35-21(20(19)32-5)25-11-8-18(27)24-22(25)28;1-9-10(5-7-28(21,8-23-26-19)25-27(3)20)24-13(12(9)22-2)16-6-4-11(17)15-14(16)18;1-22-11-10(17)8(4-6-28(21,7-23-26-19)25-27(2)20)24-12(11)15-5-3-9(16)14-13(15)18;2*1-6-7(5-14)18-10(9(6)17-2)13-4-3-8(15)12-11(13)16;1-17(7)13-20(10,4-12-16-6)5-21(11,14-18(2)8)15-19(3)9/h8-9,11,13,15-17,19-21H,7,12,14H2,1-6H3;4-7,9-10,12-13H,8H2,1-3H3;3-6,8,10-12,17H,7H2,1-2H3;3-4,6-7,9-10,14H,5H2,1-2H3,(H,12,15,16);3-7,9-10H,1-2H3,(H,12,15,16);4-5H2,1-3H3/q;;;;;+3/p+3/b13-9+;7-5+;6-4+;;;/t17-,19+,20?,21-,40?,41?;9-,10+,12?,13+,28?;8-,10+,11?,12-,28?;2*6-,7+,9?,10+;/m10100./s1/i9D,13D;5D,7D;4D,6D;5D2;5D;5D2
InChIKeyFDFDCKCMDIWSJP-DYNSOAMRSA-Q
MW2504.45 g/mol
LogP11.21
Rot. Bonds52

About [[bis[[methyl(oxo)phosphaniumyl]oxy]phosphoryl-dideuteriomethyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;[[(E)-2-[(2R,3S,5R)-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]-1,2-dideuterioethenyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;1-[(2R,4R,5S)-5-deuteriocarbonyl-3-methoxy-4-methyloxolan-2-yl]pyrimidine-2,4-dione;[[(E)-1,2-dideuterio-2-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]ethenyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;[[(E)-1,2-dideuterio-2-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-methyloxolan-2-yl]ethenyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;1-[(2R,4S,5S)-5-[dideuterio(hydroxy)methyl]-3-methoxy-4-methyloxolan-2-yl]pyrimidine-2,4-dione

[[bis[[methyl(oxo)phosphaniumyl]oxy]phosphoryl-dideuteriomethyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;[[(E)-2-[(2R,3S,5R)-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]-1,2-dideuterioethenyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;1-[(2R,4R,5S)-5-deuteriocarbonyl-3-methoxy-4-methyloxolan-2-yl]pyrimidine-2,4-dione;[[(E)-1,2-dideuterio-2-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]ethenyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;[[(E)-1,2-dideuterio-2-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-methyloxolan-2-yl]ethenyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;1-[(2R,4S,5S)-5-[dideuterio(hydroxy)methyl]-3-methoxy-4-methyloxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 167532436) has the molecular formula C76H116N12O50P16+6 and a molecular weight of 2504.45 g/mol. Its IUPAC name is [[bis[[methyl(oxo)phosphaniumyl]oxy]phosphoryl-dideuteriomethyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;[[(E)-2-[(2R,3S,5R)-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]-1,2-dideuterioethenyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;1-[(2R,4R,5S)-5-deuteriocarbonyl-3-methoxy-4-methyloxolan-2-yl]pyrimidine-2,4-dione;[[(E)-1,2-dideuterio-2-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]ethenyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;[[(E)-1,2-dideuterio-2-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-methyloxolan-2-yl]ethenyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;1-[(2R,4S,5S)-5-[dideuterio(hydroxy)methyl]-3-methoxy-4-methyloxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name[[bis[[methyl(oxo)phosphaniumyl]oxy]phosphoryl-dideuteriomethyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;[[(E)-2-[(2R,3S,5R)-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]-1,2-dideuterioethenyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;1-[(2R,4R,5S)-5-deuteriocarbonyl-3-methoxy-4-methyloxolan-2-yl]pyrimidine-2,4-dione;[[(E)-1,2-dideuterio-2-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]ethenyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;[[(E)-1,2-dideuterio-2-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-methyloxolan-2-yl]ethenyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;1-[(2R,4S,5S)-5-[dideuterio(hydroxy)methyl]-3-methoxy-4-methyloxolan-2-yl]pyrimidine-2,4-dione
PubChem CID167532436
Molecular FormulaC76H116N12O50P16+6
Molecular Weight2504.45 g/mol
Exact Mass2503.34
IUPAC Name[[bis[[methyl(oxo)phosphaniumyl]oxy]phosphoryl-dideuteriomethyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;[[(E)-2-[(2R,3S,5R)-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]-1,2-dideuterioethenyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;1-[(2R,4R,5S)-5-deuteriocarbonyl-3-methoxy-4-methyloxolan-2-yl]pyrimidine-2,4-dione;[[(E)-1,2-dideuterio-2-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]ethenyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;[[(E)-1,2-dideuterio-2-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-methyloxolan-2-yl]ethenyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;1-[(2R,4S,5S)-5-[dideuterio(hydroxy)methyl]-3-methoxy-4-methyloxolan-2-yl]pyrimidine-2,4-dione
SMILES[2H]/C(=C(/[2H])P(=O)(COP=O)O[P+](C)=O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(OC)[C@H]1C.[2H]/C(=C(/[2H])P(=O)(COP=O)O[P+](C)=O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(OC)[C@H]1O.[2H]/C(=C(/[2H])P(=O)(COP=O)O[P+](C)=O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(OC)[C@H]1OP(OCCC#N)N(C(C)C)C(C)C.[2H]C(=O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(OC)[C@H]1C.[2H]C([2H])(O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(OC)[C@H]1C.[2H]C([2H])(P(=O)(COP=O)O[P+](C)=O)P(=O)(O[P+](C)=O)O[P+](C)=O
InChIInChI=1S/C22H34N4O11P4.C14H19N2O9P3.C13H17N2O10P3.C11H16N2O5.C11H14N2O5.C5H13O10P6/c1-15(2)26(16(3)4)40(34-12-7-10-23)36-19-17(9-13-41(31,14-33-38-29)37-39(6)30)35-21(20(19)32-5)25-11-8-18(27)24-22(25)28;1-9-10(5-7-28(21,8-23-26-19)25-27(3)20)24-13(12(9)22-2)16-6-4-11(17)15-14(16)18;1-22-11-10(17)8(4-6-28(21,7-23-26-19)25-27(2)20)24-12(11)15-5-3-9(16)14-13(15)18;2*1-6-7(5-14)18-10(9(6)17-2)13-4-3-8(15)12-11(13)16;1-17(7)13-20(10,4-12-16-6)5-21(11,14-18(2)8)15-19(3)9/h8-9,11,13,15-17,19-21H,7,12,14H2,1-6H3;4-7,9-10,12-13H,8H2,1-3H3;3-6,8,10-12,17H,7H2,1-2H3;3-4,6-7,9-10,14H,5H2,1-2H3,(H,12,15,16);3-7,9-10H,1-2H3,(H,12,15,16);4-5H2,1-3H3/q;;;;;+3/p+3/b13-9+;7-5+;6-4+;;;/t17-,19+,20?,21-,40?,41?;9-,10+,12?,13+,28?;8-,10+,11?,12-,28?;2*6-,7+,9?,10+;/m10100./s1/i9D,13D;5D,7D;4D,6D;5D2;5D;5D2
InChIKeyFDFDCKCMDIWSJP-DYNSOAMRSA-Q
XLogP11.21
TPSA817.97 Ų
H-Bond Donors7
H-Bond Acceptors57
Rotatable Bonds52
Heavy Atoms154
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002504.45
LogP ≤ 511.21
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1057

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [[bis[[methyl(oxo)phosphaniumyl]oxy]phosphoryl-dideuteriomethyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;[[(E)-2-[(2R,3S,5R)-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]-1,2-dideuterioethenyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;1-[(2R,4R,5S)-5-deuteriocarbonyl-3-methoxy-4-methyloxolan-2-yl]pyrimidine-2,4-dione;[[(E)-1,2-dideuterio-2-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]ethenyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;[[(E)-1,2-dideuterio-2-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-methyloxolan-2-yl]ethenyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;1-[(2R,4S,5S)-5-[dideuterio(hydroxy)methyl]-3-methoxy-4-methyloxolan-2-yl]pyrimidine-2,4-dione with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of [[bis[[methyl(oxo)phosphaniumyl]oxy]phosphoryl-dideuteriomethyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;[[(E)-2-[(2R,3S,5R)-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]-1,2-dideuterioethenyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;1-[(2R,4R,5S)-5-deuteriocarbonyl-3-methoxy-4-methyloxolan-2-yl]pyrimidine-2,4-dione;[[(E)-1,2-dideuterio-2-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]ethenyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;[[(E)-1,2-dideuterio-2-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-methyloxolan-2-yl]ethenyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;1-[(2R,4S,5S)-5-[dideuterio(hydroxy)methyl]-3-methoxy-4-methyloxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of [[bis[[methyl(oxo)phosphaniumyl]oxy]phosphoryl-dideuteriomethyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;[[(E)-2-[(2R,3S,5R)-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]-1,2-dideuterioethenyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;1-[(2R,4R,5S)-5-deuteriocarbonyl-3-methoxy-4-methyloxolan-2-yl]pyrimidine-2,4-dione;[[(E)-1,2-dideuterio-2-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]ethenyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;[[(E)-1,2-dideuterio-2-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-methyloxolan-2-yl]ethenyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;1-[(2R,4S,5S)-5-[dideuterio(hydroxy)methyl]-3-methoxy-4-methyloxolan-2-yl]pyrimidine-2,4-dione (CID 167532436) is [[bis[[methyl(oxo)phosphaniumyl]oxy]phosphoryl-dideuteriomethyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;[[(E)-2-[(2R,3S,5R)-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]-1,2-dideuterioethenyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;1-[(2R,4R,5S)-5-deuteriocarbonyl-3-methoxy-4-methyloxolan-2-yl]pyrimidine-2,4-dione;[[(E)-1,2-dideuterio-2-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]ethenyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;[[(E)-1,2-dideuterio-2-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-methyloxolan-2-yl]ethenyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;1-[(2R,4S,5S)-5-[dideuterio(hydroxy)methyl]-3-methoxy-4-methyloxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for [[bis[[methyl(oxo)phosphaniumyl]oxy]phosphoryl-dideuteriomethyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;[[(E)-2-[(2R,3S,5R)-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]-1,2-dideuterioethenyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;1-[(2R,4R,5S)-5-deuteriocarbonyl-3-methoxy-4-methyloxolan-2-yl]pyrimidine-2,4-dione;[[(E)-1,2-dideuterio-2-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]ethenyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;[[(E)-1,2-dideuterio-2-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-methyloxolan-2-yl]ethenyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;1-[(2R,4S,5S)-5-[dideuterio(hydroxy)methyl]-3-methoxy-4-methyloxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for [[bis[[methyl(oxo)phosphaniumyl]oxy]phosphoryl-dideuteriomethyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;[[(E)-2-[(2R,3S,5R)-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]-1,2-dideuterioethenyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;1-[(2R,4R,5S)-5-deuteriocarbonyl-3-methoxy-4-methyloxolan-2-yl]pyrimidine-2,4-dione;[[(E)-1,2-dideuterio-2-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]ethenyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;[[(E)-1,2-dideuterio-2-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-methyloxolan-2-yl]ethenyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;1-[(2R,4S,5S)-5-[dideuterio(hydroxy)methyl]-3-methoxy-4-methyloxolan-2-yl]pyrimidine-2,4-dione is [2H]/C(=C(/[2H])P(=O)(COP=O)O[P+](C)=O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(OC)[C@H]1C.[2H]/C(=C(/[2H])P(=O)(COP=O)O[P+](C)=O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(OC)[C@H]1O.[2H]/C(=C(/[2H])P(=O)(COP=O)O[P+](C)=O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(OC)[C@H]1OP(OCCC#N)N(C(C)C)C(C)C.[2H]C(=O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(OC)[C@H]1C.[2H]C([2H])(O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(OC)[C@H]1C.[2H]C([2H])(P(=O)(COP=O)O[P+](C)=O)P(=O)(O[P+](C)=O)O[P+](C)=O.
What is the InChIKey of [[bis[[methyl(oxo)phosphaniumyl]oxy]phosphoryl-dideuteriomethyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;[[(E)-2-[(2R,3S,5R)-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]-1,2-dideuterioethenyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;1-[(2R,4R,5S)-5-deuteriocarbonyl-3-methoxy-4-methyloxolan-2-yl]pyrimidine-2,4-dione;[[(E)-1,2-dideuterio-2-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]ethenyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;[[(E)-1,2-dideuterio-2-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-methyloxolan-2-yl]ethenyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;1-[(2R,4S,5S)-5-[dideuterio(hydroxy)methyl]-3-methoxy-4-methyloxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is FDFDCKCMDIWSJP-DYNSOAMRSA-Q. The full InChI is InChI=1S/C22H34N4O11P4.C14H19N2O9P3.C13H17N2O10P3.C11H16N2O5.C11H14N2O5.C5H13O10P6/c1-15(2)26(16(3)4)40(34-12-7-10-23)36-19-17(9-13-41(31,14-33-38-29)37-39(6)30)35-21(20(19)32-5)25-11-8-18(27)24-22(25)28;1-9-10(5-7-28(21,8-23-26-19)25-27(3)20)24-13(12(9)22-2)16-6-4-11(17)15-14(16)18;1-22-11-10(17)8(4-6-28(21,7-23-26-19)25-27(2)20)24-12(11)15-5-3-9(16)14-13(15)18;2*1-6-7(5-14)18-10(9(6)17-2)13-4-3-8(15)12-11(13)16;1-17(7)13-20(10,4-12-16-6)5-21(11,14-18(2)8)15-19(3)9/h8-9,11,13,15-17,19-21H,7,12,14H2,1-6H3;4-7,9-10,12-13H,8H2,1-3H3;3-6,8,10-12,17H,7H2,1-2H3;3-4,6-7,9-10,14H,5H2,1-2H3,(H,12,15,16);3-7,9-10H,1-2H3,(H,12,15,16);4-5H2,1-3H3/q;;;;;+3/p+3/b13-9+;7-5+;6-4+;;;/t17-,19+,20?,21-,40?,41?;9-,10+,12?,13+,28?;8-,10+,11?,12-,28?;2*6-,7+,9?,10+;/m10100./s1/i9D,13D;5D,7D;4D,6D;5D2;5D;5D2.
What are the key properties of [[bis[[methyl(oxo)phosphaniumyl]oxy]phosphoryl-dideuteriomethyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;[[(E)-2-[(2R,3S,5R)-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]-1,2-dideuterioethenyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;1-[(2R,4R,5S)-5-deuteriocarbonyl-3-methoxy-4-methyloxolan-2-yl]pyrimidine-2,4-dione;[[(E)-1,2-dideuterio-2-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]ethenyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;[[(E)-1,2-dideuterio-2-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-methyloxolan-2-yl]ethenyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;1-[(2R,4S,5S)-5-[dideuterio(hydroxy)methyl]-3-methoxy-4-methyloxolan-2-yl]pyrimidine-2,4-dione?
[[bis[[methyl(oxo)phosphaniumyl]oxy]phosphoryl-dideuteriomethyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;[[(E)-2-[(2R,3S,5R)-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]-1,2-dideuterioethenyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;1-[(2R,4R,5S)-5-deuteriocarbonyl-3-methoxy-4-methyloxolan-2-yl]pyrimidine-2,4-dione;[[(E)-1,2-dideuterio-2-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]ethenyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;[[(E)-1,2-dideuterio-2-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-methyloxolan-2-yl]ethenyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;1-[(2R,4S,5S)-5-[dideuterio(hydroxy)methyl]-3-methoxy-4-methyloxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 2504.45 g/mol, XLogP of 11.21, 52 rotatable bonds, 7 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for [[bis[[methyl(oxo)phosphaniumyl]oxy]phosphoryl-dideuteriomethyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;[[(E)-2-[(2R,3S,5R)-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]-1,2-dideuterioethenyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;1-[(2R,4R,5S)-5-deuteriocarbonyl-3-methoxy-4-methyloxolan-2-yl]pyrimidine-2,4-dione;[[(E)-1,2-dideuterio-2-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]ethenyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;[[(E)-1,2-dideuterio-2-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methoxy-3-methyloxolan-2-yl]ethenyl]-(phosphorosooxymethyl)phosphoryl]oxy-methyl-oxophosphanium;1-[(2R,4S,5S)-5-[dideuterio(hydroxy)methyl]-3-methoxy-4-methyloxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 167532436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).