기본 정보
- CAS
1345562-47-1- 표준 SMILES
CCOP(=O)(/C=C/[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)[C@H](OCCOC)[C@@H]1OP(OCCC#N)N(C(C)C)C(C)C)OCC- InChIKey
ZKWFXIYADJXBPV-VCTZGUFNSA-N- 분자식
- C27H46N4O10P2
- 평균 분자량
- 648.6 g/mol
이름 및 식별자
- 우선 이름
- 3-[[(2R,3R,4R,5R)-2-[(E)-2-diethoxyphosphorylethenyl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
- IUPAC
- 3-[[(2R,3R,4R,5R)-2-[(E)-2-diethoxyphosphorylethenyl]-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
- 영어명
- 1-[(5E)-3-O-[(Bis-di-isopropyl amino)(2-cyanoethoxy) phosphino]-5,6-dideoxy-6-(diethoxyphosphinyl)-2-O-(2-methoxyethyl)-β-D-ribo-hex-5-enofuranosyl]-5-methyluracil
- 분자식
- C27H46N4O10P2
- 분자량
- 648.63
이름 및 동의어
1345562-47-1orb1907715TNU12891-[(5E)-3-O-[(Bis-di-isopropyl amino)(2-cyanoethoxy) phosphino]-5,6-dideoxy-6-(diethoxyphosphinyl)-2-O-(2-methoxyethyl)-|A-D-ribo-hex-5-enofuranosyl]-5-methyluracil2,?4(1H,?3H)?-?Pyrimidinedione, 1-?[(5E)?-?5,?6-?dideoxy-?2-?O-?methyl-?6-?phosphono-?β-?D-?ribo-?hex-?5-?enofuranosyl]?-1-[(5E)-3-O-[(Bis-di-isopropylamino)(2-cyanoethoxy)phosphino]-5,6-dideoxy-6-(diethoxyphosphinyl)-2-O-(2-methoxyethyl)-β-D-ribo-hex-5-enofuranosyl]-5-methyluracil1-[(5E)-3-O-[(Bis-di-isopropyl amino)(2-cyanoethoxy) phosphino]-5,6-dideoxy-6-(diethoxyphosphinyl)-2-O-(2-methoxyethyl)-β-D-ribo-hex-5-enofuranosyl]-5-methyluracil2,4(1H,3H)-Pyrimidinedione, 1-[(5E)-3-O-[[bis(1-methylethyl)amino](2-cyanoethoxy)phosphino]-5,6-dideoxy-6-(diethoxyphosphinyl)-2-O-(2-methoxyethyl)-β-D-ribo-hex-5-enofuranosyl]-5-methyl-
데이터베이스 식별자
- CAS
1345562-47-1
물성
구조 계산 물성
- XLogP
- 0.7
- 극성 표면적
- 158 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 19
- 무거운 원자 수
- 43
- 형식 전하
- 0
- 복잡도
- 1,060
물리화학적 성질
- 산도 계수 (pKa)
- 9.55 · 9.55±0.10(Predicted)
화학 및 산업
공급사8 곳
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