Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
(1S,2R,3R,6E,8S,9S,10S,12R,14E,16S)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-8,10,12-trimethyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dione
AR-5-1 · A-11725I · Mycinamicin · Mycinamicin Ⅰ · Mycinomycin I · Mycinamicin I · Antibiotic AR-5-1 · Antibiotic A 11725 I
![(1S,2R,3R,6E,8S,9S,10S,12R,14E,16S)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-8,10,12-trimethyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dione 분자 구조식](/img/chemical/90657384.png)
식별자 및 물리적 특성
| CAS No. | 73665-15-3 |
|---|---|
| 분자식 | C37H61NO12 |
| 평균 분자량 | 711.9 g/mol |
| 단동위원소 질량 | 711.41937638 g/mol |
| SMILES | CC[C@H]1OC(=O)/C=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C)C[C@@H](C)C(=O)/C=C/[C@@H]2O[C@H]2[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC |
| InChIKey | QABCJBNUVVMWAL-XNABIBRNSA-N |
| PubChem CID | 90657384 |
| DTXSID | DTXSID701101331 |
화학 및 물리적 성질
| XLogP | 3 |
|---|---|
| 극성 표면적 | 155 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 13 |
| 회전 가능 결합 수 | 9 |
| 무거운 원자 수 | 50 |
| 형식 전하 | 0 |
| 복잡도 | 1,170 |
| 녹는점 | 105°C |
| 끓는 점 | 702.95°C (rough estimate) |
| 밀도 | 1.1571 (rough estimate) |
| 굴절률 | 1.6630 (estimate) |