5-Amino-1-(5-O-phosphonopentofuranosyl)-1H-imidazole-4-carboxamide

HCID 200CAS 3031-94-5

基本情報

標準SMILES: NC(=O)c1ncn(C2OC(COP(=O)(O)O)C(O)C2O)c1N
InChIKey: NOTGFIUVDGNKRI-UHFFFAOYSA-N
分子式: C9H15N4O8P
平均分子量: 338.21 g/mol
単同位体質量: 338.06275007

概要

[5-(5-amino-4-carbamoyl-1-imidazolyl)-3,4-dihydroxy-2-oxolanyl]methyl dihydrogen phosphate is a 1-ribosylimidazolecarboxamide.

名称と識別子

優先名称: 5-Amino-1-(5-O-phosphonopentofuranosyl)-1H-imidazole-4-carboxamide
IUPAC: [5-(5-amino-4-carbamoylimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate

名称と別名

DTXSID508630815-Amino-1-(5-O-phosphonopentofuranosyl)-1H-imidazole-4-carboxamideRefChem:1072609DTXCID60811755ButylammoniumLeadIodide132069-10-4AICA-Riboside, 5'-Phosphate1H-imidazole-4-carboxamide, 5-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-Imidazole-4-carboxamide, 5'-(dihydrogen phosphate)NSC283955NSC2922271H-Imidazole-4-carboxamide, 5-amino-1-(5-O-phosphono-.beta.-D-ribofuranosyl)-

名称をさらに表示

di-n-butylammonium lead(II) tetraIodideButylammonium Lead Iodide[5-(5-amino-4-carbamoylimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphateCHEMBL274436SCHEMBL1230589CHEBI:93885BDBM526262ZMP

データベース識別子

CAS: 3031-94-5
PubChem CID: 200
DTXSID: DTXSID50863081
ChEMBL: CHEMBL274436
ChEBI: CHEBI:93885

物性

構造計算による物性

XLogP: -3.8
極性表面積: 203 Å²
水素結合供与体数: 6
水素結合受容体数: 10
回転可能結合数: 5
重原子数: 22
形式電荷: 0
複雑度: 475