(1-cyano-2-methylpropan-2-yl) 2-[[(2R,3R,4R,5R)-5-(6-benzamidopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-methoxyoxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]acetate
기본 정보
- CAS
1355047-24-3- 표준 SMILES
COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H](OC)[C@@H]2OP(CC(=O)OC(C)(C)CC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1- InChIKey
JWEJRQXHPXDTPT-GCZIAXJXSA-N- 분자식
- C52H60N7O9P
- 평균 분자량
- 958 g/mol
이름 및 식별자
- 우선 이름
- (1-cyano-2-methylpropan-2-yl) 2-[[(2R,3R,4R,5R)-5-(6-benzamidopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-methoxyoxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]acetate
- IUPAC
- (1-cyano-2-methylpropan-2-yl) 2-[[(2R,3R,4R,5R)-5-(6-benzamidopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-methoxyoxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]acetate
- 영어명
- 1355047-24-3
- 분자식
- C52H60N7O9P
- 분자량
- 958.07
이름 및 동의어
1355047-24-31-cyano-2-methylpropan-2-yl 2-({[(2R,3R,4R,5R)-5-(6-benzamido-9H-purin-9-yl)-2-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-4-methoxyoxolan-3-yl]oxy}[bis(propan-2-yl)amino]phosphanyl)acetateDMTr-2-OMe-A(Bz) PACE amiditeAdenosine, N-benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-methyl-, 3'-[P-[2-(2-cyano-1,1-dimethylethoxy)-2-oxoethyl]-N,N-bis(1-methylethyl)phosphonamidite]
데이터베이스 식별자
- CAS
1355047-24-3
물성
구조 계산 물성
- XLogP
- 7.2
- 극성 표면적
- 181 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 22
- 무거운 원자 수
- 69
- 형식 전하
- 0
- 복잡도
- 1,630
물리화학적 성질
- 산도 계수 (pKa)
- 8.8 · 8.80±0.10(Predicted)
관련 반응
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