tetralithium;[[[5-[4-amino-5-[3-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoylamino]prop-1-enyl]-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate

C22H33Li4N6O15P3 — CID 171323275

IUPACtetralithium;[[[5-[4-amino-5-[3-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoylamino]prop-1-enyl]-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
SMILESCC1NC(=O)NC1CCCCCC(=O)NCC=Cc1cn(C2CC(O)C(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O2)c(=O)nc1N.[Li+].[Li+].[Li+].[Li+]
InChIInChI=1S/C22H37N6O15P3.4Li/c1-13-15(26-21(31)25-13)7-3-2-4-8-18(30)24-9-5-6-14-11-28(22(32)27-20(14)23)19-10-16(29)17(41-19)12-40-45(36,37)43-46(38,39)42-44(33,34)35;;;;/h5-6,11,13,15-17,19,29H,2-4,7-10,12H2,1H3,(H,24,30)(H,36,37)(H,38,39)(H2,23,27,32)(H2,25,26,31)(H2,33,34,35);;;;/q;4*+1/p-4
InChIKeyIMKFWUJJUWCXKV-UHFFFAOYSA-J
MW742.22 g/mol
LogP-14.55
Rot. Bonds17

About tetralithium;[[[5-[4-amino-5-[3-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoylamino]prop-1-enyl]-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate

tetralithium;[[[5-[4-amino-5-[3-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoylamino]prop-1-enyl]-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate (PubChem CID 171323275) has the molecular formula C22H33Li4N6O15P3 and a molecular weight of 742.22 g/mol. Its IUPAC name is tetralithium;[[[5-[4-amino-5-[3-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoylamino]prop-1-enyl]-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate.

Molecular Properties

Compound Nametetralithium;[[[5-[4-amino-5-[3-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoylamino]prop-1-enyl]-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
PubChem CID171323275
Molecular FormulaC22H33Li4N6O15P3
Molecular Weight742.22 g/mol
Exact Mass742.19
IUPAC Nametetralithium;[[[5-[4-amino-5-[3-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoylamino]prop-1-enyl]-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
SMILESCC1NC(=O)NC1CCCCCC(=O)NCC=Cc1cn(C2CC(O)C(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O2)c(=O)nc1N.[Li+].[Li+].[Li+].[Li+]
InChIInChI=1S/C22H37N6O15P3.4Li/c1-13-15(26-21(31)25-13)7-3-2-4-8-18(30)24-9-5-6-14-11-28(22(32)27-20(14)23)19-10-16(29)17(41-19)12-40-45(36,37)43-46(38,39)42-44(33,34)35;;;;/h5-6,11,13,15-17,19,29H,2-4,7-10,12H2,1H3,(H,24,30)(H,36,37)(H,38,39)(H2,23,27,32)(H2,25,26,31)(H2,33,34,35);;;;/q;4*+1/p-4
InChIKeyIMKFWUJJUWCXKV-UHFFFAOYSA-J
XLogP-14.55
TPSA331.74 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds17
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.22
LogP ≤ 5-14.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze tetralithium;[[[5-[4-amino-5-[3-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoylamino]prop-1-enyl]-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate with MolForge

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Related Compounds

[[[3,4-dihydroxy-5-[5-[3-[4-[6-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoylamino]hexanoylamino]butanoylamino]prop-1-enyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
CID 171323276
tetralithium;[[[5-[4-amino-2-oxo-5-[3-[4-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]butanoylamino]prop-1-enyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
CID 171323269
6-amino-N-[(E)-3-[4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl]prop-2-enyl]hexanamide
CID 70956271
[[(2R,3S,5R)-5-[4-amino-5-[(E)-3-[3-(2-aminoethyldisulfanyl)propanoylamino]prop-1-enyl]-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 10283421
[[[(2R,3S,5R)-5-(4-amino-5-iodo-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
CID 122706513
[[[5-[5-[(E)-3-aminoprop-1-enyl]-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
CID 58672788
6-[5-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-N-[6-[[(E)-3-[4-amino-1-[(2R,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl]prop-2-enyl]amino]-6-oxohexyl]hexanamide
CID 89185647
[[(2R,3S,5R)-5-[5-[(E)-3-(6-aminohexanoylamino)prop-1-enyl]-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 101078093
[(E)-3-[4-amino-1-[(2R,4S,5R)-4-hydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-2-yl]-2-oxopyrimidin-5-yl]prop-2-enyl]azanium
CID 102197506
[[(2R,3S,5R)-5-[4-amino-5-[(E)-3-(6-aminohexylamino)-3-oxoprop-1-enyl]-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 86280302
4-amino-5-[(E)-3-aminoprop-1-enyl]-1-(4-hydroxy-5-methyloxolan-2-yl)pyrimidin-2-one
CID 143552213
tetralithium;[[[5-(2,4-dioxo-5-prop-1-ynylpyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
CID 171323169

Frequently Asked Questions

What is the IUPAC name of tetralithium;[[[5-[4-amino-5-[3-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoylamino]prop-1-enyl]-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate?
The IUPAC name of tetralithium;[[[5-[4-amino-5-[3-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoylamino]prop-1-enyl]-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate (CID 171323275) is tetralithium;[[[5-[4-amino-5-[3-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoylamino]prop-1-enyl]-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate.
What is the SMILES notation for tetralithium;[[[5-[4-amino-5-[3-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoylamino]prop-1-enyl]-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate?
The canonical SMILES for tetralithium;[[[5-[4-amino-5-[3-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoylamino]prop-1-enyl]-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate is CC1NC(=O)NC1CCCCCC(=O)NCC=Cc1cn(C2CC(O)C(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O2)c(=O)nc1N.[Li+].[Li+].[Li+].[Li+].
What is the InChIKey of tetralithium;[[[5-[4-amino-5-[3-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoylamino]prop-1-enyl]-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate?
The InChIKey is IMKFWUJJUWCXKV-UHFFFAOYSA-J. The full InChI is InChI=1S/C22H37N6O15P3.4Li/c1-13-15(26-21(31)25-13)7-3-2-4-8-18(30)24-9-5-6-14-11-28(22(32)27-20(14)23)19-10-16(29)17(41-19)12-40-45(36,37)43-46(38,39)42-44(33,34)35;;;;/h5-6,11,13,15-17,19,29H,2-4,7-10,12H2,1H3,(H,24,30)(H,36,37)(H,38,39)(H2,23,27,32)(H2,25,26,31)(H2,33,34,35);;;;/q;4*+1/p-4.
What are the key properties of tetralithium;[[[5-[4-amino-5-[3-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoylamino]prop-1-enyl]-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate?
tetralithium;[[[5-[4-amino-5-[3-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoylamino]prop-1-enyl]-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate has a molecular weight of 742.22 g/mol, XLogP of -14.55, 17 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for tetralithium;[[[5-[4-amino-5-[3-[6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoylamino]prop-1-enyl]-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate is sourced from PubChem (CID 171323275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).