기본 정보
- CAS
119665-77-9- 표준 SMILES
CCOC(C)(C)O/N=C1\[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C)[C@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@H]1C- InChIKey
BQIJMZDZVNPWGN-IZIYZBTJSA-N- 분자식
- C42H78N2O14
- 평균 분자량
- 835.1 g/mol
- 단동위원소 질량
- 834.54530517
이름 및 식별자
- 우선 이름
- Oxacyclotetradecane Erythromycin Derivatives
- IUPAC
- (3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-(2-ethoxypropan-2-yloxyimino)-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-oxacyclotetradecan-2-one
- 영어명
- Oxacyclotetradecane Erythromycin Derivatives
- 분자식
- C42H78N2O14
- 분자량
- 835.09
이름 및 동의어
119665-77-9(3R,4S,5S,6R,7R,9R,11S,12R,13S,14R)-6-(((2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-10-(((2-ethoxypropan-2-yl)oxy)imino)-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-hexamethyloxacyclotetradecan-2-oneOxacyclotetradecane Erythromycin DerivativesErythromycin Impurity 61Erythromycin Impurity 69(3R,4S,5S,6R,7R,9R,11S,12R,13S,14R,E)-6-(((2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-10-(((2-ethoxypropan-2-yl)oxy)imino)-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-hexamethyloxacyclotetradecan-2-oneClarithromycin_EOClarithromycin Impurity 40Isatin Impurity 7 (7-Methylisatin)Erythromycin, 9-[O-(1-ethoxy-1-methylethyl)oxime]
데이터베이스 식별자
- CAS
119665-77-9- PubChem CID
- 172934586
물성
구조 계산 물성
- XLogP
- 4.2
- 극성 표면적
- 208 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 58
- 형식 전하
- 0
- 복잡도
- 1,350
물리화학적 성질
- 끓는 점
- 853.8 · 853.8±75.0 °C(Predicted)
- 밀도
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 13.16 · 13.16±0.70(Predicted)
화학 및 산업
응용 분야
용도Oxacyclotetradecane Erythromycin Derivatives is a useful intermediate in the preparation of erythromycin A (E649950) antibiotics and derivatives.
공급사9 곳
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
深圳市华信医药科技有限公司15671363360 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 18012923235 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
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