기본 정보
- CAS
383910-25-6- 표준 SMILES
CCC(CC)C1=NO[C@@H]2[C@H]1[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C(=O)OC- InChIKey
WYUYCGDXMIJIAZ-XFMPKHEZSA-N- 분자식
- C18H30N2O5
- 평균 분자량
- 354.4 g/mol
이름 및 식별자
- 우선 이름
- Peramivir Impurity 36
- IUPAC
- methyl (3aS,4R,6S,6aR)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pentan-3-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-6-carboxylate
- 영어명
- methyl (3aS,4R,6S,6aR)-4-((tert-butoxycarbonyl)amino)-3-(pentan-3-yl)-3a,5,6,6a-tetrahydro-4H-cyclopenta[d]isoxazole-6-carboxylate
- 분자식
- C18H30N2O5
- 분자량
- 354.44
이름 및 동의어
383910-25-6Methyl (3aS,4R,6S,6aR)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pentan-3-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-6-carboxylatePeramivir Impurity 36(3aS,4S,6R,6aR)-6-(N-Boc-amino)-3-(1-ethylpropyl)-3a,5,6,6a-tetrahydro-4H-cyclopent[d]isoxazole-4-carboxylic Acid Methyl Ester(3aS,4R,6S,6aR)-methyl 4-((tert-butoxycarbonyl)amino)-3-(pentan-3-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-6-carboxylateMethyl (3aS,4R,6S,6aR)-4-((tert-butoxycarbonyl)amino)-3-(pentan-3-yl)-3a,5,6,6a-tetrahydro-4H-cyclopenta[d]isoxazole-6-carboxylateACS8048-608Paramivir impurity 8Peramivir impurities4Peramivir impurities450Peramivir Impurity 6/(3aS,4R,6S,6aR)-Methyl 4-(tert-butoxycarbonyl)-3-(pentan-3-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-6-carboxylate(3aR, 4R, 6S, 6aS) -4- [tert butoxycarbonylamino] -3- (1-ethylpropyl) -3a, 5,6,6a tetrahydro-4H-cyclopentano [d] isoxazole-6-carboxylic acid methyl ester
이름 더 보기
4H-Cyclopent[d]isoxazole-6-carboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-3-(1-ethylpropyl)-3a,5,6,6a-tetrahydro-, methyl ester, (3aS,4R,6S,6aR)-
데이터베이스 식별자
- CAS
383910-25-6- Nikkaji
- J1.668.277B
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 86.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 536
물리화학적 성질
- 밀도
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.61 · 11.61±0.60(Predicted)
- InChI
- InChI=1S/C18H30N2O5/c1-7-10(8-2)14-13-12(19-17(22)24-18(3,4)5)9-11(16(21)23-6)15(13)25-20-14/h10-13,15H,7-9H2,1-6H3,(H,19,22)/t11-,12+,13-,15-/m0/s1
- InChIKey
- WYUYCGDXMIJIAZ-XFMPKHEZSA-N
- SMILES
- O1[C@@]2([H])[C@@H](C(OC)=O)C[C@@H](NC(OC(C)(C)C)=O)[C@@]2([H])C(C(CC)CC)=N1
화학 및 산업
공급사40 곳
济南百隆化学有限公司[email protected] · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
广州九植医药科技有限公司020-89854820 · [email protected]
深圳市洛克医药科技有限公司13128912434 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
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