기본 정보
- CAS
50652-91-0- 표준 SMILES
CCOP(=O)(OCC)C(O)c1cccc([N+](=O)[O-])c1- InChIKey
XQHANJBMOMOBPM-UHFFFAOYSA-N- 분자식
- C11H16NO6P
- 평균 분자량
- 289.22 g/mol
- 단동위원소 질량
- 289.07152423
이름 및 식별자
- 우선 이름
- Diethyl P-(hydroxy(3-nitrophenyl)methyl)phosphonate
- IUPAC
- diethoxyphosphoryl-(3-nitrophenyl)methanol
- 현지명
- α-히드록시-3-니트로벤질포스폰산디에틸에스테르
- 영어명
- α-Hydroxy-3-nitrobenzylphosphonic acid diethyl ester
- 분자식
- C11H16NO6P
- 분자량
- 289.22
이름 및 동의어
50652-91-0DTXSID501036289Diethyl P-[hydroxy(3-nitrophenyl)methyl]phosphonateDiethyl P-(hydroxy(3-nitrophenyl)methyl)phosphonateRefChem:1083516DTXCID901520494Phosphonic acid, (hydroxy(3-nitrophenyl)methyl)-, diethyl esterdiethyl hydroxy{3-nitrophenyl}methylphosphonatediethyl [hydroxy(3-nitrophenyl)methyl]phosphonatealpha-Hydroxy-3-nitrobenzylphosphonic acid diethyl esterdiethyl (hydroxy(3-nitrophenyl)methyl)phosphonateDiethyl hydroxy(3-nitrophenyl)methylphosphonate
이름 더 보기
α-히드록시-3-니트로벤질포스폰산디에틸에스테르α-Hydroxy-3-nitrobenzylphosphonic acid diethyl ester(α-Hydroxy-3-nitrobenzyl)phosphonic acid diethyl ester[Hydroxy(3-nitrophenyl)methyl]phosphonic acid diethyl esterPhosphonic acid, P-[hydroxy(3-nitrophenyl)methyl]-, diethyl ester
NSC 43451BRN 2596653diethoxyphosphoryl-(3-nitrophenyl)methanolAI3-17795alpha-Hydroxy-m-nitro-alpha-toluenephosphonic acid diethyl esteralpha-Toluenephosphonic acid, alpha-hydroxy-3-nitro-, diethyl esterPhosphonic acid, (hydroxy(3-nitrophenyl)methyl)-, diethyl ester4-07-00-00597 (Beilstein Handbook Reference)
데이터베이스 식별자
- CAS
50652-91-0- PubChem CID
- 97811
- DTXSID
DTXSID501036289- ChEMBL
CHEMBL1602919- Nikkaji
- J86.643A
물성
구조 계산 물성
- XLogP
- 1
- 극성 표면적
- 102 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 335
실험 및 물리화학적 성질
Solubility39.2 [ug/mL] (The mean of the results at pH 7.4)
화학 및 산업
공급사2 곳
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
관련 반응
2건
화합물 노트
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