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

HCID 200CAS 3031-94-5

기본 정보

표준 SMILES: NC(=O)c1ncn(C2OC(COP(=O)(O)O)C(O)C2O)c1N
InChIKey: NOTGFIUVDGNKRI-UHFFFAOYSA-N
분자식: C9H15N4O8P
평균 분자량: 338.21 g/mol
단동위원소 질량: 338.06275007

개요

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

이름 및 식별자

우선 이름: 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

이름 및 동의어

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)-

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: -3.8
극성 표면적: 203 Å²
수소 결합 공여자 수: 6
수소 결합 수용자 수: 10
회전 가능 결합 수: 5
무거운 원자 수: 22
형식 전하: 0
복잡도: 475

연결된 노트

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