기본 정보
- CAS
145396-04-9- 표준 SMILES
O=C(CCCCCNC(=O)CCCCC1SCC2NC(=O)NC21)NCCCCCC(=O)NCCOCCOCCOCCOCCOCCOCC#Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O- InChIKey
XCTWELOHSVXDPX-UHFFFAOYSA-N- 분자식
- C46H78N7O24P3S
- 평균 분자량
- 1,238.1 g/mol
- 단동위원소 질량
- 1,237.40317855
개요
structure given in first source
이름 및 식별자
- 우선 이름
- biotin-36-dUTP
- IUPAC
- [[5-[2,4-dioxo-5-[3-[2-[2-[2-[2-[2-[2-[6-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]hexanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ynyl]pyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
- 영어명
- [[[5-[2,4-dioxo-5-[3-[2-[2-[2-[2-[2-[2-[6-[6-[5-(7-oxo-3-thia-6,8-diaz abicyclo[3.3.0]oct-2-yl)pentanoylamino]hexanoylamino]hexanoylamino]eth oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ynyl]pyrimidin-1-yl]-3-h ydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]o xyphosphonic acid
- 분자식
- C46H78N7O24P3S
- 분자량
- 1238.13
이름 및 동의어
Biotin-36-dutp145396-04-9RefChem:119880Uridine 5'-(tetrahydrogen triphosphate), 2'-deoxy-5-(41-(hexahydro-2-oxo-1H-thieno(3,4-d)imidazol-4-yl)-23,30,37-trioxo-4,7,10,13,16,19-hexaoxa-22,29,36-triazahentetracont-1-yn-1-yl)-, (3aS-(3aalpha,4beta,6aalpha))-Uridine 5'-(tetrahydrogen triphosphate), 2'-deoxy-5-[41-(hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl)-23,30,37-trioxo-4,7,10,13,16,19-hexaoxa-22,29,36-triazahentetracont-1-yn-1-yl]-, [3aS-(3aα,4β,6aα)]- (9CI)[[[5-[2,4-dioxo-5-[3-[2-[2-[2-[2-[2-[2-[6-[6-[5-(7-oxo-3-thia-6,8-diaz abicyclo[3.3.0]oct-2-yl)pentanoylamino]hexanoylamino]hexanoylamino]eth oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ynyl]pyrimidin-1-yl]-3-h ydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]o xyphosphonic acid
데이터베이스 식별자
- CAS
145396-04-9- PubChem CID
- 84083
물성
구조 계산 물성
- XLogP
- -5.4
- 극성 표면적
- 448 Ų
- 수소 결합 공여자 수
- 11
- 수소 결합 수용자 수
- 25
- 회전 가능 결합 수
- 45
- 무거운 원자 수
- 81
- 형식 전하
- 0
- 복잡도
- 2,260
물리화학적 성질
- 밀도
- 1.467 · 1.467±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 0.973 · 0.973±0.50(predicted)
화학 및 산업
공급사1 곳
HONEST JOY HOLDINGS LIMITED[email protected]
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