데술포코엔자임A

Adenosine 5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), P'-((3R)-4-((3-(ethylamino)-3-oxopropyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl) ester

HCID 165363
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기본 정보

CAS
5863-40-1
표준 SMILES
CCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O
InChIKey
ILWZMFJBPIYQKW-IBOSZNHHSA-N
분자식
C21H36N7O16P3
평균 분자량
735.5 g/mol
단동위원소 질량
735.14313796

개요

RN refers to (R)-isomer

이름 및 식별자

우선 이름
Adenosine 5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), P'-((3R)-4-((3-(ethylamino)-3-oxopropyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl) ester
IUPAC
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-4-[[3-(ethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] hydrogen phosphate
현지명
데술포코엔자임A
영어명
DESULFO COENZYME A
분자식
C21H36N7O16P3
분자량
735.47

이름 및 동의어

desulfo-coenzyme aCoenzyme A, desulfo5863-40-1[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-4-[[3-(ethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] hydrogen phosphateAdenosine 5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), 5'-mono(4-((3-(ethylamino)-3-oxopropyl)amino)-3-hydroxy-2,2-dimethyl-3-oxobutyl) ester, (R)-(((2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl)methoxy-hydroxyphosphoryl) ((3R)-4-((3-(ethylamino)-3-oxopropyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl) hydrogen phosphateRefChem:585830Adenosine 5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), P'-((3R)-4-((3-(ethylamino)-3-oxopropyl)amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl) esterDesulfo-coaDesulfo-coenzym ADesulfo-coenzymAorb3144813
이름 더 보기
데술포코엔자임ADethia-CoAdesulfo-coenzymeaDethiocoenzyme Adesulfocoenzyme A, lithium saltAdenosine 5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), P'-[(3R)-4-[[3-(ethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] ester
SCHEMBL29941820DTXSID00974171ILWZMFJBPIYQKW-IBOSZNHHSA-NTYD-04157AT38363DB01829NS00073010DESULFO COENZYME A (10MM SODIUM SALT SOLUTION, 20UL)

데이터베이스 식별자

CAS
5863-40-1
PubChem CID
165363
DTXSID
DTXSID00974171
Nikkaji
J934.484E

물성

구조 계산 물성

XLogP
-5.7
극성 표면적
347 Ų
수소 결합 공여자 수
9
수소 결합 수용자 수
20
회전 가능 결합 수
17
무거운 원자 수
47

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

물리화학적 성질

밀도
1.92 · 1.92±0.1 g/cm3(Predicted)
저장 조건
20 °C · −20°C
산도 계수 (pKa)
1.16 · 1.16±0.50(Predicted)

안전 및 규제

안전 데이터

wgk
3

화학 및 산업

공급사1 곳

成都标样生物科技有限公司028-81700200 13308200041 · [email protected]

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