2-[(2S,5R)-5-(4-carbamoyl-5-hydroxyimidazol-1-yl)oxolan-2-yl]ethylphosphonic acid

C10H16N3O6P — CID 146511240

IUPAC2-[(2S,5R)-5-(4-carbamoyl-5-hydroxyimidazol-1-yl)oxolan-2-yl]ethylphosphonic acid
SMILESNC(=O)c1ncn([C@H]2CC[C@@H](CCP(=O)(O)O)O2)c1O
InChIInChI=1S/C10H16N3O6P/c11-9(14)8-10(15)13(5-12-8)7-2-1-6(19-7)3-4-20(16,17)18/h5-7,15H,1-4H2,(H2,11,14)(H2,16,17,18)/t6-,7+/m0/s1
InChIKeyAXKNAEUROJLECO-NKWVEPMBSA-N
MW305.23 g/mol
LogP-0.07
Rot. Bonds5

About 2-[(2S,5R)-5-(4-carbamoyl-5-hydroxyimidazol-1-yl)oxolan-2-yl]ethylphosphonic acid

2-[(2S,5R)-5-(4-carbamoyl-5-hydroxyimidazol-1-yl)oxolan-2-yl]ethylphosphonic acid (PubChem CID 146511240) has the molecular formula C10H16N3O6P and a molecular weight of 305.23 g/mol. Its IUPAC name is 2-[(2S,5R)-5-(4-carbamoyl-5-hydroxyimidazol-1-yl)oxolan-2-yl]ethylphosphonic acid.

Molecular Properties

Compound Name2-[(2S,5R)-5-(4-carbamoyl-5-hydroxyimidazol-1-yl)oxolan-2-yl]ethylphosphonic acid
PubChem CID146511240
Molecular FormulaC10H16N3O6P
Molecular Weight305.23 g/mol
Exact Mass305.08
IUPAC Name2-[(2S,5R)-5-(4-carbamoyl-5-hydroxyimidazol-1-yl)oxolan-2-yl]ethylphosphonic acid
SMILESNC(=O)c1ncn([C@H]2CC[C@@H](CCP(=O)(O)O)O2)c1O
InChIInChI=1S/C10H16N3O6P/c11-9(14)8-10(15)13(5-12-8)7-2-1-6(19-7)3-4-20(16,17)18/h5-7,15H,1-4H2,(H2,11,14)(H2,16,17,18)/t6-,7+/m0/s1
InChIKeyAXKNAEUROJLECO-NKWVEPMBSA-N
XLogP-0.07
TPSA147.90 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.23
LogP ≤ 5-0.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(2S,5R)-5-(4-carbamoyl-5-hydroxyimidazol-1-yl)oxolan-2-yl]ethylphosphonic acid 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

[(2S,5R)-5-(4-carbamoyl-5-hydroxyimidazol-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 146511040
[[(2S,5R)-5-(5-amino-4-carbamoylimidazol-1-yl)oxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate
CID 170152653
1-[(2R,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-5-hydroxyimidazole-4-carboxamide
CID 159068153
9-[(2R,5S)-5-[2-[amino(hydroxy)phosphinothioyl]oxyethyl]oxolan-2-yl]purin-6-amine
CID 163488341
1-[5-(aminomethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide
CID 146511172
[(1R)-1-[[(2S,5R)-5-(2-chloro-6-methylpurin-9-yl)oxolan-2-yl]methoxy]-2-ethoxy-2-oxoethyl]phosphonic acid
CID 144952602
[(2S,5R)-5-(6-amino-3,6-dihydropurin-9-yl)oxolan-2-yl]methyl hydroxy hydrogen phosphate
CID 174083697
[1-[[(5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)oxolan-2-yl]methoxy]-2-ethoxy-2-oxoethyl]phosphonic acid
CID 156543824
sodium [(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl [hydroxy(phosphonooxy)phosphoryl] phosphate
CID 23689368
[[(2S,5S)-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 136722914
[(2R,4R,5R)-5-(4-carbamoyl-5-hydroxyimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-aminopropanoate
CID 153301322
sodium [[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 46176227

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,5R)-5-(4-carbamoyl-5-hydroxyimidazol-1-yl)oxolan-2-yl]ethylphosphonic acid?
The IUPAC name of 2-[(2S,5R)-5-(4-carbamoyl-5-hydroxyimidazol-1-yl)oxolan-2-yl]ethylphosphonic acid (CID 146511240) is 2-[(2S,5R)-5-(4-carbamoyl-5-hydroxyimidazol-1-yl)oxolan-2-yl]ethylphosphonic acid.
What is the SMILES notation for 2-[(2S,5R)-5-(4-carbamoyl-5-hydroxyimidazol-1-yl)oxolan-2-yl]ethylphosphonic acid?
The canonical SMILES for 2-[(2S,5R)-5-(4-carbamoyl-5-hydroxyimidazol-1-yl)oxolan-2-yl]ethylphosphonic acid is NC(=O)c1ncn([C@H]2CC[C@@H](CCP(=O)(O)O)O2)c1O.
What is the InChIKey of 2-[(2S,5R)-5-(4-carbamoyl-5-hydroxyimidazol-1-yl)oxolan-2-yl]ethylphosphonic acid?
The InChIKey is AXKNAEUROJLECO-NKWVEPMBSA-N. The full InChI is InChI=1S/C10H16N3O6P/c11-9(14)8-10(15)13(5-12-8)7-2-1-6(19-7)3-4-20(16,17)18/h5-7,15H,1-4H2,(H2,11,14)(H2,16,17,18)/t6-,7+/m0/s1.
What are the key properties of 2-[(2S,5R)-5-(4-carbamoyl-5-hydroxyimidazol-1-yl)oxolan-2-yl]ethylphosphonic acid?
2-[(2S,5R)-5-(4-carbamoyl-5-hydroxyimidazol-1-yl)oxolan-2-yl]ethylphosphonic acid has a molecular weight of 305.23 g/mol, XLogP of -0.07, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,5R)-5-(4-carbamoyl-5-hydroxyimidazol-1-yl)oxolan-2-yl]ethylphosphonic acid is sourced from PubChem (CID 146511240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).