기본 정보
- CAS
27973-72-4- 표준 SMILES
C=C1CC(OC)(C(O)C(=O)NC(OC)C2CC(O)C(C)(C)C(CC(COC)OC)O2)OC(C)C1C- InChIKey
ZNEZZONMADKYTB-UHFFFAOYSA-N- 분자식
- C25H45NO9
- 평균 분자량
- 503.6 g/mol
- 단동위원소 질량
- 503.30943201
이름 및 식별자
- 우선 이름
- N-[[6-(2,3-dimethoxypropyl)-4-hydroxy-5,5-dimethyl-tetrahydropyran-2-yl]-methoxy-methyl]-2-hydroxy-2-(2-methoxy-5,6-dimethyl-4-methylene-tetrahydropyran-2-yl)acetamide
- IUPAC
- N-[[6-(2,3-dimethoxypropyl)-4-hydroxy-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-2-(2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl)acetamide
이름 및 동의어
NSC114781SCHEMBL230848882H-Puran-2-acetamide, N-[[6-(2,3-dimethoxypropyl)tetrahydro-4-hydroxy-5,5-dimethyl-2H-pyran-2-yl]tetrahydro-.alpha.-hydroxy-2-methoxy-5, 6-dimethyl-4-methylene-, [2S-[2.alpha.[R*[R*(2S*,5S*,6S*)]], 4.beta.,6.beta.(R*)]]-2H-Pyran-2-glycolamide, N-[[6-(2,3-dimethoxypropyl)tetrahydro-3-hydroxy-5,5-dimethyl-2H-pyran-2-yl]methoxymethyl]tetrahydro-2-methoxy-5,6-dimethyl-4-methylene-N-[[6-(2,3-dimethoxypropyl)-4-hydroxy-5,5-dimethyl-tetrahydropyran-2-yl]-methoxy-methyl]-2-hydroxy-2-(2-methoxy-5,6-dimethyl-4-methylene-tetrahydropyran-2-yl)acetamide
데이터베이스 식별자
- CAS
27973-72-4- PubChem CID
- 494094
물성
구조 계산 물성
- XLogP
- 1
- 극성 표면적
- 125 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 717
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