Doripenem Impurity 10
기본 정보
- CAS
189188-38-3- 표준 SMILES
C[C@@H]1C(OP(=O)(Oc2ccccc2)Oc2ccccc2)=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12- InChIKey
STULDTCHQXVRIX-NUQURWJTSA-N- 분자식
- C29H27N2O10P
- 평균 분자량
- 594.5 g/mol
- 단동위원소 질량
- 594.14033206
이름 및 식별자
- 우선 이름
- Doripenem Impurity 10
- IUPAC
- (4-nitrophenyl)methyl (4S,5R,6S)-3-diphenoxyphosphoryloxy-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
- 영어명
- 4-Nitrobenzyl (4S,5R,6S)-3-[(diphenylphosphono)oxy]-6-[(R)-1-hydroxyethyl]- 4-Methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
- 분자식
- C29H27N2O10P
- 분자량
- 594.51
이름 및 동의어
189188-38-3Doripenem Impurity 10(4-Nitrophenyl)methyl (4S,5R,6S)-3-diphenoxyphosphoryloxy-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate(4S,5R,6S)-4-Nitrobenzyl 3-((diphenoxyphosphoryl)oxy)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate4-Nitrobenzyl (4S,5R,6S)-3-[(diphenylphosphono)oxy]-6-[(R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate6P38GC95JVSCHEMBL100131484-Nitrobenzyl (4S,5R,6S)-3-[(diphenylphosphono)oxy]-6-[(R)-1-hydroxyethyl]-(4-Nitrophenyl)methyl (4S,5R,6S)-3-[(diphenoxyphosphinyl)oxy]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate(4S,5R,6S)-4-Nitrobenzyl3-((diphenoxyphosphoryl)oxy)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[(diphenoxyphosphinyl)oxy]-6-(1-hydroxyethyl)-4-methyl-7-oxo-, (4-nitrophenyl)methyl ester, [4S-[4alpha,5alpha,6alpha(S*)]]-
이름 더 보기
Meropenem Impurity 17STULDTCHQXVRIX-NUQURWJTSA-NDoripenem Impurity MAP-alfa Isomer (Meropenem Related Compound 1)4-Nitrobenzyl (4S,5R,6S)-3-[(diphenylphosphono)oxy]-6-[(R)-1-hydroxyethyl]- 4-Methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[(diphenoxyphosphinyl)oxy]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-, (4-nitrophenyl)methyl ester, (4S,5R,6S)-4-nitrobenzyl (4S,5R,6S)-3-((diphenoxyphosphoryl)oxy)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
데이터베이스 식별자
- CAS
189188-38-3- PubChem CID
- 13853772
- UNII
- 6P38GC95JV
- Nikkaji
- J1.817.972E
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 157 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 1,060
물리화학적 성질
- 끓는 점
- 722.4 · 722.4±60.0 °C(Predicted)
- 밀도
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 14.36 · 14.36±0.20(Predicted)
화학 및 산업
응용 분야
용도4-Nitrobenzyl (4S,5R,6S)-3-[(Diphenylphosphono)oxy]-6-[(R)-1-hydroxyethyl]- 4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
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