5'-Thymidylic acid, 5'-anhydride with methylenebis(phosphonic acid)
기본 정보
- CAS
59957-94-7- 표준 SMILES
Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)CP(=O)(O)O)O2)c(=O)[nH]c1=O- InChIKey
HEDAITKJNKXWIZ-DJLDLDEBSA-N- 분자식
- C11H19N2O13P3
- 평균 분자량
- 480.2 g/mol
- 단동위원소 질량
- 480.00999966
이름 및 식별자
- 우선 이름
- 5'-Thymidylic acid, 5'-anhydride with methylenebis(phosphonic acid)
- IUPAC
- [hydroxy-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]methylphosphonic acid
이름 및 동의어
59957-94-7Beta, Gamma-methylenedeoxythymidine 5'-triphosphate5'-Thymidylic acid, monoanhydride with (phosphonomethyl)phosphonic aciddTMPPCPbeta gamma-CH2-dTTPRefChem:912886beta, gamma-methylene dTTP5'-Thymidylic acid, 5'-anhydride with methylenebis(phosphonic acid)261-992-0PHOSPHOMETHYL PHOSPHONIC ACID DEOXYTHYMIDYLATE ESTERTTEEINECS 261-992-0
이름 더 보기
5'-o-[(s)-hydroxy{[(r)-hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl]thymidinebeta,gamma-Methylenedeoxythymidine 5'-triphosphate[hydroxy-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]methylphosphonic acidorb638812DTXSID60975381Thymidine 5'-monophosphate, monoanhydride with (phosphonomethyl)phosphonic acidQ274667431-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl)-beta-D-erythro-pentofuranosyl]-4-hydroxy-5-methylpyrimidin-2(1H)-one
데이터베이스 식별자
- CAS
59957-94-7- PubChem CID
- 108861
- DTXSID
DTXSID60975381- EC Number
- 261-992-0
- Nikkaji
- J298.749J
물성
구조 계산 물성
- XLogP
- -5.2
- 극성 표면적
- 229 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 853
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