기본 정보
- 표준 SMILES
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([N+](C)(C)[O-])[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O- InChIKey
LUIPOVCSQJTWHA-RWJQBGPGSA-N- 분자식
- C37H67NO14
- 평균 분자량
- 749.9 g/mol
- 단동위원소 질량
- 749.45615582
개요
Erythromycin, anhydro-, N-oxide has been reported in Saccharopolyspora erythraea with data available.
이름 및 식별자
- 우선 이름
- Erythromycin, anhydro-, N-oxide
- IUPAC
- (2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-3-hydroxy-N,N,6-trimethyloxan-4-amine oxide
- 현지명
- 미공군EL-99
- 영어명
- USAF EL-99
- 분자식
- C37H65NO13
- 분자량
- 731.914
이름 및 동의어
Erythromycin, anhydro-, N-oxide63950-90-3DTXSID50213784(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-3-hydroxy-N,N,6-trimethyloxan-4-amine oxide(2S,3R,4S,6R)-2-(((3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl)oxy)-3-hydroxy-N,N,6-trimethyloxan-4-amine oxideRefChem:1084258DTXCID80136275Erythromycin A N-oxide992-65-4T9KL5GX5WQAnhydroerythromycin-N-oxideErythromycin EP Impurity H
이름 더 보기
미공군EL-99
Erythromycin, N-oxideErythromycin A N-oxide (>80%)(2S,3R,4S,6R)-2-(((3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-(((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-3,5,7,9,11,13-hexamethyl-2,10-dioxooxacyclotetradecan-6-yl)oxy)-3-hydroxy-N,N,6-trimethyltetrahydro-2H-pyran-4-amine oxideUSAF EL-99UNII-T9KL5GX5WQorb1692890SCHEMBL14342543LUIPOVCSQJTWHA-RWJQBGPGSA-N
데이터베이스 식별자
- CAS
63950-90-3、992-65-4- PubChem CID
- 88121
- DTXSID
DTXSID50213784- UNII
- T9KL5GX5WQ
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 209 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 52
- 형식 전하
- 0
- 복잡도
- 1,220
화학 및 산업
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