Azithromycin F
기본 정보
- CAS
612069-26-8- 표준 SMILES
CC[C@H]1OC(=O)[C@H](CO)[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)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O- InChIKey
FOKFKPIVUOKMAB-KRYDKTARSA-N- 분자식
- C38H72N2O13
- 평균 분자량
- 765 g/mol
- 단동위원소 질량
- 764.50344036
이름 및 식별자
- 우선 이름
- Azithromycin F
- IUPAC
- (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-(hydroxymethyl)-3,5,6,8,10,12-hexamethyl-1-oxa-6-azacyclopentadecan-15-one
- 영어명
- Azithromycin F
- 분자식
- C38H72N2O13
- 분자량
- 764.98
이름 및 동의어
Azithromycin F612069-26-8UNII-I9G3UFD9TYI9G3UFD9TYDTXSID80210125AZITHROMYCIN IMPURITY D [EP IMPURITY]AZITHROMYCIN IMPURITY D (EP IMPURITY)RefChem:11613614-DEMETHYL-14-(HYDROXYMETHYL)AZITHROMYCINDTXCID80132616AZITHROMYCIN EP IMPURITY D(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-14-(hydroxymethyl)-3,5,6,8,10,12-hexamethyl-1-oxa-6-azacyclopentadecan-15-one
이름 더 보기
Azithromycin EP Impurity D(isomer)Azithromycin Impurity 4（Azithromycin EP Impurity D）(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-(((3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2-ethyl-3,4,10-trihydroxy-13-(((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-14-(hydroxymethyl)-3,5,6,8,10Azithromycin EP Impurity D/(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-(((2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2-ethyl-3,4,10-trihydroxy-13-(((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)1-Oxa-6-azacyclopentadecan-15-one, 13-[(2,6-dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-14-(hydroxymethyl)-3,5,6,8,10,12-hexamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]-, (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-(((2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2-ethyl-3,4,10-trihydroxy-13-(((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-14-(hydroxymethyl)-3,5,6,8,10,12-hexamethyl-1-oxa-6-azacyclopentadecan-15-one
orb3215567AT38369Q2728060714-demethyl-14-(hydroxymethyl)azithromycin (azithromycin F)(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-14-(hydroxymethyl)-3,5,6,8,10,12-hexamethyl-1-oxa-6-azacyclopentadecan-15-one(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-13-[(2,6-Dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-14-(hydroxymethyl)-3,5,6,8,10,12-hexamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy]-1-oxa-6-azacyclopentadecan-15-one ((2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-Ethyl-3,4,10-trihydroxy-14-(hydroxymethyl)-3,5,6,8,10,12-hexamethyl-15-oxo-11-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosideAzithromycin F; (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-(((2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2-ethyl-3,4,10-trihydroxy-13-(((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-14-(hydroxymethyl)-3,5,6,8,10,12-hexamethyl-1-oxa-6-azacyclopentadecan-15-one
데이터베이스 식별자
- CAS
612069-26-8- PubChem CID
- 71587770
- DTXSID
DTXSID80210125- UNII
- I9G3UFD9TY
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 200 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 53
- 형식 전하
- 0
- 복잡도
- 1,170
물리화학적 성질
- 끓는 점
- 852.4 · 852.4±65.0 °C(Predicted)
- 밀도
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 13.25 · 13.25±0.70(Predicted)
- InChIKey
- FOKFKPIVUOKMAB-KRYDKTARSA-N
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