[(2R,3S,4R,5R)-5-[4-carbamoyl-5-[[(3R,4R)-3,4-dihydroxy-2-oxo-5-phosphonooxypentyl]iminomethylamino]imidazol-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-oxido-oxophosphanium

C15H23N5O14P2 — CID 101333626

IUPAC[(2R,3S,4R,5R)-5-[4-carbamoyl-5-[[(3R,4R)-3,4-dihydroxy-2-oxo-5-phosphonooxypentyl]iminomethylamino]imidazol-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-oxido-oxophosphanium
SMILESNC(=O)c1ncn([C@@H]2O[C@H](CO[P+](=O)[O-])[C@@H](O)[C@H]2O)c1N/C=N/CC(=O)[C@H](O)[C@H](O)COP(=O)(O)O
InChIInChI=1S/C15H23N5O14P2/c16-13(26)9-14(18-4-17-1-6(21)10(23)7(22)2-33-36(29,30)31)20(5-19-9)15-12(25)11(24)8(34-15)3-32-35(27)28/h4-5,7-8,10-12,15,22-25H,1-3H2,(H2,16,26)(H,17,18)(H2,29,30,31)/t7-,8-,10+,11-,12-,15-/m1/s1
InChIKeyITTKCJZWKYYIBF-GHVQHMAVSA-N
MW559.32 g/mol
LogP-4.52
Rot. Bonds14

About [(2R,3S,4R,5R)-5-[4-carbamoyl-5-[[(3R,4R)-3,4-dihydroxy-2-oxo-5-phosphonooxypentyl]iminomethylamino]imidazol-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-oxido-oxophosphanium

[(2R,3S,4R,5R)-5-[4-carbamoyl-5-[[(3R,4R)-3,4-dihydroxy-2-oxo-5-phosphonooxypentyl]iminomethylamino]imidazol-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-oxido-oxophosphanium (PubChem CID 101333626) has the molecular formula C15H23N5O14P2 and a molecular weight of 559.32 g/mol. Its IUPAC name is [(2R,3S,4R,5R)-5-[4-carbamoyl-5-[[(3R,4R)-3,4-dihydroxy-2-oxo-5-phosphonooxypentyl]iminomethylamino]imidazol-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-oxido-oxophosphanium.

Molecular Properties

Compound Name[(2R,3S,4R,5R)-5-[4-carbamoyl-5-[[(3R,4R)-3,4-dihydroxy-2-oxo-5-phosphonooxypentyl]iminomethylamino]imidazol-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-oxido-oxophosphanium
PubChem CID101333626
Molecular FormulaC15H23N5O14P2
Molecular Weight559.32 g/mol
Exact Mass559.07
IUPAC Name[(2R,3S,4R,5R)-5-[4-carbamoyl-5-[[(3R,4R)-3,4-dihydroxy-2-oxo-5-phosphonooxypentyl]iminomethylamino]imidazol-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-oxido-oxophosphanium
SMILESNC(=O)c1ncn([C@@H]2O[C@H](CO[P+](=O)[O-])[C@@H](O)[C@H]2O)c1N/C=N/CC(=O)[C@H](O)[C@H](O)COP(=O)(O)O
InChIInChI=1S/C15H23N5O14P2/c16-13(26)9-14(18-4-17-1-6(21)10(23)7(22)2-33-36(29,30)31)20(5-19-9)15-12(25)11(24)8(34-15)3-32-35(27)28/h4-5,7-8,10-12,15,22-25H,1-3H2,(H2,16,26)(H,17,18)(H2,29,30,31)/t7-,8-,10+,11-,12-,15-/m1/s1
InChIKeyITTKCJZWKYYIBF-GHVQHMAVSA-N
XLogP-4.52
TPSA308.64 Ų
H-Bond Donors8
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500559.32
LogP ≤ 5-4.52
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [(2R,3S,4R,5R)-5-[4-carbamoyl-5-[[(3R,4R)-3,4-dihydroxy-2-oxo-5-phosphonooxypentyl]iminomethylamino]imidazol-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-oxido-oxophosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-[[[5-carbamoyl-3-[3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]imidazol-4-yl]amino]methylideneamino]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 1012
[(2R,3S,4R,5R)-5-[4-carbamoyl-5-[[(E)-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]iminomethyl]amino]imidazol-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 10458529
[5-carbamoyl-3-[(3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]imidazol-4-yl]-[[(3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]amino]-methylideneazanium
CID 87178941
[(2R,3S,4R,5R)-5-[5-amino-4-(prop-2-enylcarbamoyl)imidazol-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 101084770
4-[[5-amino-1-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]imidazole-4-carbonyl]amino]-4-oxobutanoic acid
CID 163026471
ethyl 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]imidazole-4-carboxylate
CID 23271569
[(2R,3S,4R,5S)-5-(3-carbamoyl-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
CID 134940370
5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonatooxymethyl)oxolan-2-yl]imidazole-4-carboxylate
CID 24916886
[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 21122981
[(2R,4R,5R)-5-(4-carbamoyl-5-hydroxyimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-aminopropanoate
CID 153301322
5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl](4,5-13C2,315N)imidazole-4-carboxamide
CID 139026028
[(2R,3S,4R)-5-(3-carbamoyl-5-fluoro-2-oxopyrazin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 70148580

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5R)-5-[4-carbamoyl-5-[[(3R,4R)-3,4-dihydroxy-2-oxo-5-phosphonooxypentyl]iminomethylamino]imidazol-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-oxido-oxophosphanium?
The IUPAC name of [(2R,3S,4R,5R)-5-[4-carbamoyl-5-[[(3R,4R)-3,4-dihydroxy-2-oxo-5-phosphonooxypentyl]iminomethylamino]imidazol-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-oxido-oxophosphanium (CID 101333626) is [(2R,3S,4R,5R)-5-[4-carbamoyl-5-[[(3R,4R)-3,4-dihydroxy-2-oxo-5-phosphonooxypentyl]iminomethylamino]imidazol-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-oxido-oxophosphanium.
What is the SMILES notation for [(2R,3S,4R,5R)-5-[4-carbamoyl-5-[[(3R,4R)-3,4-dihydroxy-2-oxo-5-phosphonooxypentyl]iminomethylamino]imidazol-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-oxido-oxophosphanium?
The canonical SMILES for [(2R,3S,4R,5R)-5-[4-carbamoyl-5-[[(3R,4R)-3,4-dihydroxy-2-oxo-5-phosphonooxypentyl]iminomethylamino]imidazol-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-oxido-oxophosphanium is NC(=O)c1ncn([C@@H]2O[C@H](CO[P+](=O)[O-])[C@@H](O)[C@H]2O)c1N/C=N/CC(=O)[C@H](O)[C@H](O)COP(=O)(O)O.
What is the InChIKey of [(2R,3S,4R,5R)-5-[4-carbamoyl-5-[[(3R,4R)-3,4-dihydroxy-2-oxo-5-phosphonooxypentyl]iminomethylamino]imidazol-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-oxido-oxophosphanium?
The InChIKey is ITTKCJZWKYYIBF-GHVQHMAVSA-N. The full InChI is InChI=1S/C15H23N5O14P2/c16-13(26)9-14(18-4-17-1-6(21)10(23)7(22)2-33-36(29,30)31)20(5-19-9)15-12(25)11(24)8(34-15)3-32-35(27)28/h4-5,7-8,10-12,15,22-25H,1-3H2,(H2,16,26)(H,17,18)(H2,29,30,31)/t7-,8-,10+,11-,12-,15-/m1/s1.
What are the key properties of [(2R,3S,4R,5R)-5-[4-carbamoyl-5-[[(3R,4R)-3,4-dihydroxy-2-oxo-5-phosphonooxypentyl]iminomethylamino]imidazol-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-oxido-oxophosphanium?
[(2R,3S,4R,5R)-5-[4-carbamoyl-5-[[(3R,4R)-3,4-dihydroxy-2-oxo-5-phosphonooxypentyl]iminomethylamino]imidazol-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-oxido-oxophosphanium has a molecular weight of 559.32 g/mol, XLogP of -4.52, 14 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,5R)-5-[4-carbamoyl-5-[[(3R,4R)-3,4-dihydroxy-2-oxo-5-phosphonooxypentyl]iminomethylamino]imidazol-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-oxido-oxophosphanium is sourced from PubChem (CID 101333626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).