(((1-(2,4-Dioxo-5-methyl-1,2,3,4-tetrahyropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)oxy)methoxyphosphinyl)acetic acid ethyl ester oxide
기본 정보
- CAS
115365-19-0- 표준 SMILES
CCOC(=O)CP(=O)(OC)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1O- InChIKey
TWNCWXXDFUWGKI-AXNJWONOSA-N- 분자식
- C15H23N2O9P
- 평균 분자량
- 406.32 g/mol
- 단동위원소 질량
- 406.11411731
이름 및 식별자
- 우선 이름
- (((1-(2,4-Dioxo-5-methyl-1,2,3,4-tetrahyropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)oxy)methoxyphosphinyl)acetic acid ethyl ester oxide
- IUPAC
- ethyl 2-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-methoxyphosphoryl]acetate
이름 및 동의어
TY6XN54NR4115365-19-0(((1-(2,4-Dioxo-5-methyl-1,2,3,4-tetrahyropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)oxy)methoxyphosphinyl)acetic acid ethyl ester oxideThymidine, 5'-[methyl (2-ethoxy-2-oxoethyl)phosphonate]ethyl 2-({[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}(methoxy)phosphoryl)acetateThymidine, 5'-(methyl (2-ethoxy-2-oxoethyl)phosphonate)ethyl 2-((((2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl)methoxy)(methoxy)phosphoryl)acetateRefChem:67058UNII-TY6XN54NR4CHEMBL3144450DTXSID40921684[[[1-(2,4-Dioxo-5-methyl-1,2,3,4-tetrahyropyrimidin-1-yl)-2-deoxy-Beta-D-erythro-pentofuranos-5-yl]oxy]methoxyphosphinyl]-acetic acid ethyl ester oxide
이름 더 보기
1-{2-Deoxy-5-O-[(2-ethoxy-2-oxoethyl)(methoxy)phosphoryl]-beta-D-erythro-pentofuranosyl}-4-hydroxy-5-methylpyrimidin-2(1H)-one1-{2-Deoxy-5-O-[(2-ethoxy-2-oxoethyl)(methoxy)phosphoryl]pentofuranosyl}-4-hydroxy-5-methylpyrimidin-2(1H)-oneethyl 2-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-methoxy-phosphoryl]acetate
물성
구조 계산 물성
- XLogP
- -1.5
- 극성 표면적
- 141 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 680
관련 반응
0건
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