기본 정보
- CAS
3036-18-8- 표준 SMILES
NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O- InChIKey
WVIMUEUQJFPNDK-PEBGCTIMSA-N- 분자식
- C11H20N4O11P2
- 평균 분자량
- 446.24 g/mol
- 단동위원소 질량
- 446.06038146
개요
CDP-ethanolamine is a phosphoethanolamine consisting of ethanolamine having a cytidine 5'-diphosphate moiety attached to the oxygen. It has a role as a mouse metabolite. It is a member of nucleotide-(amino alcohol)s and a phosphoethanolamine. It is a conjugate acid of a CDP-ethanolamine(1-).
이름 및 식별자
- 우선 이름
- CDP-Ethanolamine
- IUPAC
- [2-aminoethoxy(hydroxy)phosphoryl] [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
- 영어명
- 2-aminoethoxy-[[5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-phosphinic acid
- 분자식
- C11H20N4O11P2
- 분자량
- 446.24
이름 및 동의어
CDP-ethanolamine3036-18-8CDP ethanolaminecytidine diphosphate ethanolamine[2-aminoethoxy(hydroxy)phosphoryl] [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphateCHEBI:16732Cytidine 5'-(trihydrogen diphosphate), P'-(2-aminoethyl) ester[({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](2-aminoethoxy)phosphinic acid(((((2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(2-aminoethoxy)phosphinic acid(2-aminoethoxy(hydroxy)phosphoryl) ((2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl)methyl hydrogen phosphateRefChem:124146Cytidine 5'-diphosphoethanolamine
이름 더 보기
Cytidine 5'-diphosphate ethanolamineAzacitidine Impurity 51Cytidine 5'-Diphosphate EthaCiticoline Impurity 7 MonomerCytidine 5′-diphosphoethanolamine
물성
구조 계산 물성
- XLogP
- -7.2
- 극성 표면적
- 237 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 746
실험 및 물리화학적 성질
Physical DescriptionSolid
Collision Cross Section
188.2 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
188.1 Ų [M-H]-
물리화학적 성질
- 녹는점
- 164 °C · >164°C (dec.)
- 끓는 점
- 736 · 736.0±70.0 °C(Predicted)
- 밀도
- 2.13 · 2.13±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- 용해도
- 물(약간 용해됨)
- 산도 계수 (pKa)
- 0.91 · 0.91±0.50(Predicted)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
화학 및 산업
약리 정보
Tissue LocationsIntestine
Cellular LocationsCytoplasm
Metabolite PathwaysPhosphatidylcholine Biosynthesis
응용 분야
용도Cytidine 5’-Diphosphate Ethanolamine Disodium Salt is an analog of Cytidine 5’-Diphosphate with an important role in the metabolism of phospholipides.
공급사26 곳
艾吉析科技（上海）有限公司17717235263 · [email protected]
Aladdin Scientific[email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
济南启源生物科技有限公司18766124282; 18766124282 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
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