(((2R,3S,5R)-5-(5-(2-Chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethoxy}-hydroxy-phosphoryl)-acetic acid
기본 정보
- CAS
115365-27-0- 표준 SMILES
O=C(O)CP(=O)(O)OC[C@H]1O[C@@H](n2cc(CCCl)c(=O)[nH]c2=O)C[C@@H]1O- InChIKey
OLKRUBDTCFHTEF-IVZWLZJFSA-N- 분자식
- C13H18ClN2O9P
- 평균 분자량
- 412.71 g/mol
- 단동위원소 질량
- 412.0438448
이름 및 식별자
- 우선 이름
- (((2R,3S,5R)-5-(5-(2-Chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethoxy}-hydroxy-phosphoryl)-acetic acid
- IUPAC
- 2-[[(2R,3S,5R)-5-[5-(2-chloroethyl)-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]acetic acid
이름 및 동의어
115365-27-0(((2R,3S,5R)-5-(5-(2-Chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethoxy}-hydroxy-phosphoryl)-acetic acid({(2R,3S,5R)-5-[5-(2-Chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl]-3-hydroxy-tetrahydro-furan-2-ylmethoxy}-hydroxy-phosphoryl)-acetic acidM6U6KRC5VFCHEMBL3144440DTXSID70921692Uridine, 5-(2-chloroethyl)-2'-deoxy-, 5'-[hydrogen (carboxymethyl)phosphonate]1-{5-O-[(Carboxymethyl)(hydroxy)phosphoryl]-2-deoxy-beta-D-erythro-pentofuranosyl}-5-(2-chloroethyl)-4-hydroxypyrimidin-2(1H)-one1-{5-O-[(Carboxymethyl)(hydroxy)phosphoryl]-2-deoxypentofuranosyl}-5-(2-chloroethyl)-4-hydroxypyrimidin-2(1H)-one2-({[(2R,3S,5R)-5-[5-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)acetic acid2-[[(2R,3S,5R)-5-[5-(2-chloroethyl)-2,4-dioxo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]acetic acid
데이터베이스 식별자
- CAS
115365-27-0- PubChem CID
- 5272126
- DTXSID
물성
구조 계산 물성
- XLogP
- -2.2
- 극성 표면적
- 163 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 670
관련 반응
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