기본 정보
- CAS
1256966-02-5- 표준 SMILES
Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](COP(=O)(O)OC[C@H]5CN(c6ccc(-c7ccc(-c8nnn(C)n8)nc7)c(F)c6)C(=O)O5)OC4=O)cc3F)cn2)n1- InChIKey
UGUGELYBSIMIPH-DNQXCXABSA-N- 분자식
- C34H29F2N12O8P
- 평균 분자량
- 802.6 g/mol
- 단동위원소 질량
- 802.19369925
이름 및 식별자
- 우선 이름
- Bis(((R)-3-(3-fluoro-4-(6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl)phenyl)-2-oxooxazolidin-5-yl)methyl) hydrogen phosphate
- IUPAC
- bis[[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl] hydrogen phosphate
- 영어명
- bis(((R)-3-(3-fluoro-4-(6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl)phenyl)-2-oxooxazolidin-5-yl)methyl) hydrogen phosphate
- 분자식
- C34H29F2N12O8P
- 분자량
- 802.64
이름 및 동의어
1256966-02-5Tedizolid Impurity VBis(((R)-3-(3-fluoro-4-(6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl)phenyl)-2-oxooxazolidin-5-yl)methyl) hydrogen phosphate2CZ2P66U2CTedizolidted Impurity VSCHEMBL13144441CS-0165603(5R,5'R)-5,5'-[Phosphinicobis(oxymethylene)]bis[3-[3-fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxazolidinone]2-Oxazolidinone, 5,5'-[phosphinicobis(oxymethylene)]bis[3-[3-fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)-3-pyridinyl]phenyl]-, (5R,5'R)-Bis(((R)-3-(3-fluoro-4-(6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl)phenyl)-2-oxooxazolidin-5-yl)methyl) Hydrogen Phosphate (Tedizolid Impurity pound(c)Torezolid-32Tedizolid Impurity 35
이름 더 보기
Tedizolid Impurity 13Tedizolid Impurity 30Tedizolid impurity568Terazolamide impurity 37Tedizolid phosphate diesterbis(((R)-3-(3-fluoro-4-(6-(2-methyl-2H-tetrazolTedizolid Impurity 15: Tedizolium Phosphate Diester
데이터베이스 식별자
- CAS
1256966-02-5- PubChem CID
- 59477107
- UNII
- 2CZ2P66U2C
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 228 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 18
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 57
- 형식 전하
- 0
- 복잡도
- 1,370
물리화학적 성질
- 끓는 점
- 989.4 · 989.4±75.0 °C(Predicted)
- 밀도
- 1.7 · 1.70±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 1.32 · 1.32±0.50(Predicted)
- InChIKey
- UGUGELYBSIMIPH-DNQXCXABSA-N
- SMILES
- P(OC[C@@H]1OC(=O)N(C2=CC=C(C3=CC=C(C4=NN(C)N=N4)N=C3)C(F)=C2)C1)(OC[C@@H]1OC(=O)N(C2=CC=C(C3=CC=C(C4=NN(C)N=N4)N=C3)C(F)=C2)C1)(O)=O
화학 및 산업
응용 분야
용도bis-Tedizolidyl Phosphate Diester is an antibacterial drug, can be used for treating or preventing bacterial infection in mammals.
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