1-[(5E)-3-O-[(Bis-diisopropylamino)(2-cyanoethoxy)phos-phino]-5,6-dideoxy-6-(diethoxyphosphinyl)-2-O-methyl-ss-D-ribo-hex-5-enofuranosyl]uracil
기본 정보
- CAS
2361324-80-1- 표준 SMILES
CCOP(=O)(/C=C/[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](OC)[C@@H]1OP(OCCC#N)N(C(C)C)C(C)C)OCC- InChIKey
JBUSRFDGBSMOGG-AFAROQDZSA-N- 분자식
- C24H40N4O9P2
- 평균 분자량
- 590.5 g/mol
이름 및 식별자
- 우선 이름
- 1-[(5E)-3-O-[(Bis-diisopropylamino)(2-cyanoethoxy)phos-phino]-5,6-dideoxy-6-(diethoxyphosphinyl)-2-O-methyl-ss-D-ribo-hex-5-enofuranosyl]uracil
- IUPAC
- 3-[[(2R,3R,4R,5R)-2-[(E)-2-diethoxyphosphorylethenyl]-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
- 영어명
- 2,4(1H,3H)-Pyrimidinedione, 1-[(5E)-3-O-[[bis(1-methylethyl)amino](2-cyanoethoxy)phosphino]-5,6-dideoxy-6-(diethoxyphosphinyl)-2-O-methyl-β-D-ribo-hex-5-enofuranosyl]-
- 분자식
- C24
- 분자량
- 590.55
이름 및 동의어
2361324-80-1orb1907995TNU10091-[(5E)-3-O-[(Bis-diisopropylamino)(2-cyanoethoxy)phos-phino]-5,6-dideoxy-6-(diethoxyphosphinyl)-2-O-methyl-ss-D-ribo-hex-5-enofuranosyl]uracilBP-40042VP-U-61-[(5E)-3-O-[(Bis-diisopropylamino)(2-cyanoethoxy)phos-phino]-5,6-dideoxy-6-(diethoxyphosphinyl)-2-O-methyl-β-D-ribo-hex-5-enofuranosyl]uracil2,4(1H,3H)-Pyrimidinedione, 1-[(5E)-3-O-[[bis(1-methylethyl)amino](2-cyanoethoxy)phosphino]-5,6-dideoxy-6-(diethoxyphosphinyl)-2-O-methyl-β-D-ribo-hex-5-enofuranosyl]-2,4(1H,3H)-Pyrimidinedione, 1-[(5E)-3-O-[[bis(1-methylethyl)amino](2-cyanoethoxy)phosphino]-5,6-dideoxy-6-(diethoxyphosphinyl)-2-O-methyl-β-D-ribo-hex-5-enofuranosyl]-
데이터베이스 식별자
- CAS
2361324-80-1
물성
구조 계산 물성
- XLogP
- 0.5
- 극성 표면적
- 149 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 16
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 966
물리화학적 성질
- 산도 계수 (pKa)
- 9.39 · 9.39±0.10(Predicted)
관련 반응
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