기본 정보
- CAS
20762-30-5- 표준 SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H](O)[C@@H](O)[C@@H](O)C=O)[C@@H](O)[C@H]1O- InChIKey
PWJFNRJRHXWEPT-AOOZFPJJSA-N- 분자식
- C15H23N5O14P2
- 평균 분자량
- 559.32 g/mol
- 단동위원소 질량
- 559.07167442
개요
Adenosine diphosphate ribose is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).
이름 및 식별자
- 우선 이름
- ADP ribose
- IUPAC
- [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4R)-2,3,4-trihydroxy-5-oxopentyl] hydrogen phosphate
- 영어명
- [5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy-[(3,4,5-trihydroxyoxolan-2-yl)methoxy]phosphoryl] hydrogen phosphate
- 분자식
- C15H23N5O14P2
- 분자량
- 559.32
이름 및 동의어
ADP Ribose20762-30-5Ribose adenosinediphosphateADPRXV3S4KV26E5-(Adenosine 5'-pyrophosphoryl)-D-ribose5'-Diphosphoribose, AdenosineAdenosine 5'-pyrophosphate, 5'-5-ester with D-ribofuranose[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4R)-2,3,4-trihydroxy-5-oxopentyl] hydrogen phosphateRibose, ADP(((2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl)methoxy-hydroxyphosphoryl) ((2R,3R,4R)-2,3,4-trihydroxy-5-oxopentyl) hydrogen phosphate((2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl)methyl (hydroxy-((2R,3R,4R)-2,3,4-trihydroxy-5-oxopentoxy)phosphoryl) hydrogen phosphate
이름 더 보기
Adenosine diphosphate riboseAdenosindiphosphoriboseADPR，AdenosindiphosphoriboseAdenosine pyrophosphate-riboseAdenosine 5'-diphosphoric acid β-(5-deoxy-D-ribos-5-yl) esterAdenosine 5'-(trihydrogen diphosphate), P'→5-ester with D-ribose
물성
구조 계산 물성
- XLogP
- -6.4
- 극성 표면적
- 299 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 18
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 859
실험 및 물리화학적 성질
Collision Cross Section211.4 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
물리화학적 성질
- 끓는 점
- 1007.5 · 1007.5±75.0 °C(Predicted)
- 밀도
- 2.24 · 2.24±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 1.13 · 1.13±0.50(Predicted)
- 물리적 상태
- Solid
- 색상
- Light yellow to yellow
화학 및 산업
공급사20 곳
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