5-Aminoimidazole ribonucleotide

HCID 161500

기본 정보

CAS: 25635-88-5
표준 SMILES: Nc1cncn1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O
InChIKey: PDACUKOKVHBVHJ-XVFCMESISA-N
분자식: C8H14N3O7P
평균 분자량: 295.19 g/mol
단동위원소 질량: 295.05693642

개요

5-amino-1-(5-phospho-beta-D-ribosyl)imidazole is a 1-(phosphoribosyl)imidazole that is 5-aminoimidazole in which the proton at position 1 has been replaced by a 5-phospho-beta-D-ribofuranosyl group. It has a role as a bacterial metabolite. It is an aminoimidazole and a 1-(phosphoribosyl)imidazole. It is a conjugate acid of a 5-amino-1-(5-phosphonato-beta-D-ribosyl)imidazol-3-ium.

이름 및 식별자

우선 이름: 5-Aminoimidazole ribonucleotide
IUPAC: [(2R,3S,4R,5R)-5-(5-aminoimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
영어명: [5-(5-aminoimidazol-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxyphosphonic acid
분자식: C8H14N3O7P
분자량: 295.19

이름 및 동의어

5-aminoimidazole ribonucleotide{[(2R,3S,4R,5R)-5-(5-amino-1H-imidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid(((2R,3S,4R,5R)-5-(5-amino-1H-imidazol-1-yl)-3,4-dihydroxyoxolan-2-yl)methoxy)phosphonic acidRefChem:1072641Aminoimidazole ribotide25635-88-55-aminoimidazole ribotide5'-phosphoribosyl-5-aminoimidazole5-Amino-1-ribofuranosylimidazole 5'-phosphateAminoimidazole ribonucleotide1-(5'-phosphoribosyl)-5-aminoimidazole1-(5-Phospho-D-ribosyl)-5-aminoimidazole

이름 더 보기

AIR【nucleotide】1-(5-O-Phosphono-β-D-ribofuranosyl)-1H-imidazol-5-amine(2-Amino-1H-imidazol-1-yl)β-D-ribofuranoside 5-phosphate1H-Imidazol-5-amine, 1-(5-O-phosphono-β-D-ribofuranosyl)-1H-IMidazol-5-aMine, 1-(5-O-phosphono-b-D-ribofuranosyl)-1-(5-Amino-1H-imidazole-1-yl)-1-deoxy-β-D-ribofuranose 5-phosphoric acid

1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazol-5-amine5-amino-1-(5-phospho-beta-D-ribosyl)imidazole[(2R,3S,4R,5R)-5-(5-aminoimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate1H-Imidazol-5-amine, 1-(5-O-phosphono-beta-D-ribofuranosyl)[5-(5-aminoimidazol-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxyphosphonic acid(2R,3R,4S,5R)-2-(5-Amino-1H-imidazol-1-yl)-tetrahydro-5-(phosphomethyl)furan-3,4-diol((2R,3S,4R,5R)-5-(5-Amino-1H-imidazol-1-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphateC8H14N3O7P

데이터베이스 식별자

CAS: 25635-88-5
PubChem CID: 161500
DTXSID: DTXSID60948494
ChEMBL: CHEMBL1230914
ChEBI: CHEBI:138560
Nikkaji: J17.002J

물성

구조 계산 물성

XLogP: -3.6
극성 표면적: 160 Å²
수소 결합 공여자 수: 5
수소 결합 수용자 수: 9
회전 가능 결합 수: 4
무거운 원자 수: 19
형식 전하: 0
복잡도: 366

실험 및 물리화학적 성질

Physical DescriptionSolid

물리화학적 성질

끓는 점: 774 · 774.0±70.0 °C(Predicted)
밀도: 2.16 · 2.16±0.1 g/cm3(Predicted)
산도 계수 (pKa): 1.86 · 1.86±0.10(Predicted)

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

Metabolite PathwaysAdenine phosphoribosyltransferase deficiency (APRT)

공급사3 곳

Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]

北京秦岭医药科技有限公司010-61241352 18901327973 · [email protected]

河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]

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