기본 정보
- CAS
900180-06-5- 표준 SMILES
CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2C=O- InChIKey
UNAFPIMETYLLNQ-PIFWCUCSSA-N- 분자식
- C17H25NO5
- 평균 분자량
- 323.4 g/mol
- 단동위원소 질량
- 323.1732729
이름 및 식별자
- 우선 이름
- Ethyl ((1R,3aR,4aR,6R,8aR,9S,9aS)-9-formyl-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-yl)carbamate
- IUPAC
- ethyl N-[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-formyl-1-methyl-3-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-1H-benzo[f][2]benzofuran-6-yl]carbamate
- 영어명
- Ethyl ((1R,3aR,4aR,6R,8aR,9S,9aS)-9-formyl-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-yl)carbamate
- 분자식
- C17H25NO5
- 분자량
- 323.38
이름 및 동의어
900180-06-5Ethyl ((1R,3aR,4aR,6R,8aR,9S,9aS)-9-formyl-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-yl)carbamateethyl N-[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-formyl-1-methyl-3-oxo-dodecahydronaphtho[2,3-c]furan-6-yl]carbamateSCHEMBL471689ethyl N-[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-formyl-1-methyl-3-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-1H-benzo[f][2]benzofuran-6-yl]carbamateRMA-765Ethyl ((1R,3aR,4aR,6R,8aR,9S,9aS)-9-formyl-1-methyl-3-oxodod...[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-Formyldodecahydro-1-methyl-3-oxonaphtho[2,3-c]furan-6-yl]carbamic acid ethyl esterETHYL ((1R,3AR,4AR,6R,8AR,9S,9AS)-9-FORMYL-1-METHYL-3-OXODODECAHYDRONAPHTHO[2,3-C]FURAN-6-YL)CARBAMATE (VORAPAXAR)Ethyl N-[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-formyldodecahydro-1-methyl-3-oxonaphtho[2,3-c]furan-6-yl]-Carbamic acid esterCarbamic acid, N-[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-formyldodecahydro-1-methyl-3-oxonaphtho[2,3-c]furan-6-yl]-, ethyl ester
데이터베이스 식별자
- CAS
900180-06-5
물성
구조 계산 물성
- XLogP
- 1.7
- 극성 표면적
- 81.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 493
물리화학적 성질
- 끓는 점
- 514.9 · 514.9±50.0 °C(Predicted)
- 밀도
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.45 · 12.45±0.60(Predicted)
- InChI
- InChI=1S/C17H25NO5/c1-3-22-17(21)18-11-4-5-12-10(6-11)7-13-15(14(12)8-19)9(2)23-16(13)20/h8-15H,3-7H2,1-2H3,(H,18,21)/t9-,10+,11-,12-,13-,14+,15-/m1/s1
- InChIKey
- UNAFPIMETYLLNQ-PIFWCUCSSA-N
- SMILES
- C(OCC)(=O)N[C@@H]1CC[C@]2([H])[C@@]([H])(C1)C[C@@]1([H])C(=O)O[C@H](C)[C@@]1([H])[C@H]2C=O
화학 및 산업
공급사17 곳
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
南京威诺德医药技术有限公司15189836218 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
南京伶亚生物医药科技有限公司18068075658 · [email protected]
上海前衍生物科技有限公司02781293128 · [email protected]
上海星泰医药科技有限公司15801747407 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
北京科富瑞德科技发展有限责任公司010-60279497 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
南京安美科技有限公司18936879710 18851749494 · [email protected]
Shanxi Xuanran Import and Export Trade Co., Ltd.
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