[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] hydrogen phosphate

HCID 439335
노트반응
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기본 정보

표준 SMILES
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C(O)C(=O)NCCC(=O)NCCS
InChIKey
KDTSHFARGAKYJN-DRCCLKDXSA-N
분자식
C21H35N7O13P2S
평균 분자량
687.6 g/mol

개요

See also: Dephospho-coa (annotation moved to).

이름 및 식별자

우선 이름
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] hydrogen phosphate
IUPAC
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] hydrogen phosphate

이름 및 동의어

3'-Dephospho coenzyme A[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] hydrogen phosphate3'-Dephosphocoenzyme ASCHEMBL29387036

데이터베이스 식별자

PubChem CID
439335
Nikkaji
J1.121.279D

물성

구조 계산 물성

XLogP
-4.7
극성 표면적
301 Ų
수소 결합 공여자 수
9
수소 결합 수용자 수
18
회전 가능 결합 수
16
무거운 원자 수
44

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