2′-데옥시-시티딘-5′-트리포스페이트리튬염

dCTP

HCID 65091CAS 2056-98-6

기본 정보

표준 SMILES: Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)n1
InChIKey: RGWHQCVHVJXOKC-SHYZEUOFSA-N
분자식: C9H16N3O13P3
평균 분자량: 467.16 g/mol
단동위원소 질량: 466.98959746

개요

DCTP is a 2'-deoxycytidine phosphate having cytosine as the nucleobase. It has a role as a mouse metabolite, an Escherichia coli metabolite and a human metabolite. It is a pyrimidine 2'-deoxyribonucleoside 5'-triphosphate and a 2'-deoxycytidine phosphate. It is a conjugate acid of a dCTP(3-).

이름 및 식별자

우선 이름: dCTP
IUPAC: [[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
현지명: 2′-데옥시-시티딘-5′-트리포스페이트리튬염
영어명: Deoxycytidine triphosphate
분자식: C9H16N3O13P3
분자량: 467.16

이름 및 동의어

dCTPDeoxycytidine triphosphate2056-98-62'-Deoxycytidine 5'-triphosphatedeoxy-CTPCHEBI:16311deoxycytidine-triphosphate[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate({[({[(2R,3S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid(((((((2R,3S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)phosphonic acid(((2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl)methoxy-hydroxyphosphoryl) phosphono hydrogen phosphateRefChem:80292

이름 더 보기

2′-데옥시-시티딘-5′-트리포스페이트리튬염5'-DCTPDCTP, LI((2R,3S,5R)Deoxy-5'-CTPDCTP LI-SALT

218-153-9Deoxycytidine 5'-triphosphate2'-deoxycytidine-5'-triphosphateCytidine 5'-(tetrahydrogen triphosphate), 2'-deoxy-((2R,3S,5R)-5-(4-Amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxytetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate2'-Deoxycytidine 5'-(tetrahydrogen triphosphate)102783-51-7[[(2R,3S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate

데이터베이스 식별자

CAS: 2056-98-6
PubChem CID: 65091
DTXSID: DTXSID60942755
ChEMBL: CHEMBL560403
ChEBI: CHEBI:16311
EC Number: 218-153-9
Nikkaji: J247.702E

물성

구조 계산 물성

XLogP: -5.6
극성 표면적: 248 Å²
수소 결합 공여자 수: 6
수소 결합 수용자 수: 13
회전 가능 결합 수: 8
무거운 원자 수: 28
형식 전하: 0
복잡도: 823

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

Physical DescriptionSolid

Collision Cross Section176.92 Å² [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

물리화학적 성질

끓는 점: 811.5 · 811.5±75.0 °C(Predicted)
밀도: 2.38 · 2.38±0.1 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 0.8 · 0.80±0.50(Predicted)
물리적 상태: 안정화된 산성 수용액
색상: White to off-white
수용성: 35 mg/mL · Water : ≥ 35 mg/mL (74.92 mM)

안전 및 규제

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

Metabolite PathwaysBeta Ureidopropionase Deficiency

공급사45 곳

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