기본 정보
- CAS
2140-58-1- 표준 SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O- InChIKey
WFPZSXYXPSUOPY-ROYWQJLOSA-N- 분자식
- C16H25N5O15P2
- 평균 분자량
- 589.3 g/mol
- 단동위원소 질량
- 589.0822391
개요
ADP alpha-D-glucoside is an ADP-aldose having alpha-D-glucopyranose as the sugar moiety. It has a role as a plant metabolite and an Escherichia coli metabolite. It is an ADP-aldose and an alpha-D-glucoside. It is a conjugate acid of an ADP alpha-D-glucoside(2-).
이름 및 식별자
- 우선 이름
- ADP-Glucose
- IUPAC
- [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate
- 영어명
- [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phosphinic acid
- 분자식
- C16H25N5O15P2
- 분자량
- 589.34
이름 및 동의어
ADP-glucoseadenosine diphosphate glucose2140-58-1Adenosine diphosphoglucoseADP GlucoseAdenosine pyrophosphateglucoseADPGDTXSID101318219[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphateAdenosine 5'-(trihydrogen diphosphate), P'-alpha-D-glucopyranosyl esterGlucose, ADP{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[hydroxy({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phosphoryl]oxy})phosphinic acid
이름 더 보기
ADP-D-GLUCOSEADP alpha-D-glucosideAdenosine 5'-diphosphoric acid β-(α-D-glucopyranosyl) esterDiphosphoric acid α-(5'-adenosyl)β-(α-D-glucopyranosyl) esterAdenosine 5'-(trihydrogen diphosphate), P'-α-D-glucopyranosyl ester[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phosphinic acid
물성
구조 계산 물성
- XLogP
- -6.2
- 극성 표면적
- 312 Ų
- 수소 결합 공여자 수
- 9
- 수소 결합 수용자 수
- 19
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 924
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
Physical DescriptionSolid
Collision Cross Section
217.5 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
214.5 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
219.14 Ų [M-H]- [CCS Type: DT; Method: stepped-field]
물리화학적 성질
- 끓는 점
- 997.5 · 997.5±75.0 °C(Predicted)
- 밀도
- 2.42 · 2.42±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 1.1 · 1.10±0.50(Predicted)
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
공급사1 곳
武汉糖智药业有限公司027-63498076 13658392159 · [email protected]
추가 설명
정의ChEBI: An ADP-aldose having alpha-D-glucopyranose as the sugar moiety.
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