기본 정보
- CAS
131380-60-4- 표준 SMILES
C=CC(O)[C@H](O)CC1=C(C)[C@@H](OC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)CC1=O- InChIKey
CATXPAWUNIAZOF-DBKFYXDTSA-N- 분자식
- C21H30O5
- 평균 분자량
- 362.5 g/mol
- 단동위원소 질량
- 362.20932405
이름 및 식별자
- 우선 이름
- Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 3-(2,3-dihydroxy-4-pentenyl)-2-methyl-4-oxo-2-cyclopenten-1-yl ester, (1R-(1alpha(S*(2R*,3R*)),3beta))
- IUPAC
- cis-[(1S)-3-[(2R)-2,3-dihydroxypent-4-enyl]-2-methyl-4-oxocyclopent-2-en-1-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
이름 및 동의어
131380-60-4Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 3-(2,3-dihydroxy-4-pentenyl)-2-methyl-4-oxo-2-cyclopenten-1-yl ester, (1R-(1alpha(S*(2R*,3R*)),3beta))DTXSID90927176(1S)-3-[(2R)-2,3-DIHYDROXYPENT-4-EN-1-YL]-2-METHYL-4-OXOCYCLOPENT-2-EN-1-YL (1R,3R)-2,2-DIMETHYL-3-(2-METHYLPROP-1-EN-1-YL)CYCLOPROPANE-1-CARBOXYLATE3-(2,3-Dihydroxypent-4-en-1-yl)-2-methyl-4-oxocyclopent-2-en-1-yl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate
데이터베이스 식별자
- CAS
131380-60-4- PubChem CID
- 183045
- DTXSID
DTXSID90927176
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 83.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 666
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