기본 정보
- CAS
69787-80-0- 표준 SMILES
COC[C@H]1O[C@@H](O[C@@H]2OC[C@@H]3O[C@]4(O[C@H]3[C@H]2OC(=O)C(C)C)O[C@H](C)[C@@](O)(C(C)O)[C@@H]2OCO[C@H]24)[C@@H](OC)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](C)[C@H](OC)[C@H](O[C@H]2C[C@@]3(C)OC4(C[C@@H](O)[C@H](O[C@H]5C[C@@H](O)[C@H](OC(=O)c6c(C)c(Cl)c(O)c(Cl)c6OC)[C@@H](C)O5)[C@@H](C)O4)O[C@@H]3[C@@H](C)O2)[C@H]1O- InChIKey
AEIFATUAVHHRBC-GYPCSUJESA-N- 분자식
- C61H90Cl2O32
- 평균 분자량
- 1,406.2 g/mol
- 단동위원소 질량
- 1,404.4792261
이름 및 식별자
- 우선 이름
- Avilamycin C
- IUPAC
- [(2R,3S,4R,6S)-6-[(2'R,3'S,3aR,4R,4'R,6S,7aR)-6-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6S)-6-[(2R,3aS,3'aR,6S,6'R,7R,7'S,7aR,7'aR)-7'-hydroxy-7'-(1-hydroxyethyl)-6'-methyl-7-(2-methylpropanoyloxy)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,4'-6,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6-yl]oxy-4-hydroxy-5-methoxy-2-(methoxymethyl)oxan-3-yl]oxy-3-hydroxy-5-methoxy-6-methyloxan-4-yl]oxy-4'-hydroxy-2',4,7a-trimethylspiro[3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2,6'-oxane]-3'-yl]oxy-4-hydroxy-2-methyloxan-3-yl] 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate
- 영어명
- Avilamycin
- 분자식
- C61H90Cl2O32
- 분자량
- 1406.26
이름 및 동의어
Avilamycin CUNII-GE1D3N476FGE1D3N476F69787-80-0AVILAMYCIN C [MI]DTXSID60220080RefChem:115788DTXCID60142571((2R,3S,4R,6S)-6-((2'R,3'S,3aR,4R,4'R,6S,7aR)-6-((2S,3R,4R,5S,6R)-2-((2R,3S,4S,5S,6S)-6-((2R,3aS,3'aR,6S,6'R,7R,7'S,7aR,7'aR)-7'-hydroxy-7'-(1-hydroxyethyl)-6'-methyl-7-(2-methylpropanoyloxy)spiro(4,6,7,7a-tetrahydro-3aH-(1,3)dioxolo(4,5-c)pyran-2,4'-6,7a-dihydro-3aH-(1,3)dioxolo(4,5-c)pyran)-6-yl)oxy-4-hydroxy-5-methoxy-2-(methoxymethyl)oxan-3-yl)oxy-3-hydroxy-5-methoxy-6-methyloxan-4-yl)oxy-4'-hydroxy-2',4,7a-trimethylspiro(3a,4,6,7-tetrahydro-(1,3)dioxolo(4,5-c)pyran-2,6'-oxane)-3'-yl)oxy-4-hydroxy-2-methyloxan-3-yl) 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate[(2R,3S,4R,6S)-6-[(2'R,3'S,3aR,4R,4'R,6S,7aR)-6-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6S)-6-[(2R,3aS,3'aR,6S,6'R,7R,7'S,7aR,7'aR)-7'-hydroxy-7'-(1-hydroxyethyl)-6'-methyl-7-(2-methylpropanoyloxy)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,4'-6,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6-yl]oxy-4-hydroxy-5-methoxy-2-(methoxymethyl)oxan-3-yl]oxy-3-hydroxy-5-methoxy-6-methyloxan-4-yl]oxy-4'-hydroxy-2',4,7a-trimethylspiro[3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2,6'-oxane]-3'-yl]oxy-4-hydroxy-2-methyloxan-3-yl] 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate
물성
구조 계산 물성
- XLogP
- 0.6
- 극성 표면적
- 388 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 32
- 회전 가능 결합 수
- 20
- 무거운 원자 수
- 95
- 형식 전하
- 0
- 복잡도
- 2,610
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Antibiotics
물리화학적 성질
- 밀도
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.94 · 4.94±0.35(Predicted)
화학 및 산업
공급사8 곳
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
ChemeGen 中国18818260767 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
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