기본 정보
- CAS
155660-92-7- 표준 SMILES
C/C=C/C(O)C/C=C/CC(C)C(O)CC(=O)NCC(O)C(C)C(=O)NCCCC1OC2(CCCC(CCC(C)/C=C(\C)C(C)O)O2)CCC1C- InChIKey
VBQUNUFYTUOFSU-BIKMVLIWSA-N- 분자식
- C40H70N2O8
- 평균 분자량
- 707 g/mol
- 단동위원소 질량
- 706.5132172
개요
from marine ascidian Lissoclinum bistratum; structure in first source
이름 및 식별자
- 우선 이름
- Bistramide K
- IUPAC
- (6E,10E)-3,9-dihydroxy-N-[2-hydroxy-4-[3-[8-[(E)-6-hydroxy-3,5-dimethylhept-4-enyl]-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]propylamino]-3-methyl-4-oxobutyl]-4-methyldodeca-6,10-dienamide
- 현지명
- 비스트라마이드K
- 영어명
- bistramide K
- 분자식
- C40H70N2O8
- 분자량
- 706.99
이름 및 동의어
Bistramide K155660-92-7DTXSID401046182(6E,10E)-3,9-dihydroxy-N-[2-hydroxy-4-[3-[8-[(E)-6-hydroxy-3,5-dimethylhept-4-enyl]-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]propylamino]-3-methyl-4-oxobutyl]-4-methyldodeca-6,10-dienamide(6E,10E)-3,9-dihydroxy-N-(2-hydroxy-4-(3-(8-((E)-6-hydroxy-3,5-dimethylhept-4-enyl)-3-methyl-1,7-dioxaspiro(5.5)undecan-2-yl)propylamino)-3-methyl-4-oxobutyl)-4-methyldodeca-6,10-dienamideRefChem:120534DTXCID601528051CHEMBL506861SCHEMBL293755653,9-Dihydroxy-N-(2-hydroxy-4-((3-(8-(6-hydroxy-3,5-dimethyl-4-heptenyl)-3-methyl-1,7-dioxaspiro(5.5)undec-2-yl)propyl)amino)-3-methyl-4-oxobutyl)-4-methyl-6,10-dodecadienamide6,10-Dodecadienamide, 3,9-dihydroxy-N-(2-hydroxy-4-((3-(8-(6-hydroxy-3,5-dimethyl-4-heptenyl)-3-methyl-1,7-dioxaspiro(5.5)undec-2-yl)propyl)amino)-3-methyl-4-oxobutyl)-4-methyl-비스트라마이드K
이름 더 보기
6,10-Dodecadienamide, 3,9-dihydroxy-N-[(2R,3S)-2-hydroxy-4-[[3-[(2R,3S,6S,8S)-8-[(3S,4E,6S)-6-hydroxy-3,5-dimethyl-4-hepten-1-yl]-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl]propyl]amino]-3-methyl-4-oxobutyl]-4-methyl-, (3S,4S,6E,9R,10E)-
데이터베이스 식별자
- CAS
155660-92-7- PubChem CID
- 6441266
- DTXSID
DTXSID401046182- ChEMBL
CHEMBL506861
물성
구조 계산 물성
- XLogP
- 5.1
- 극성 표면적
- 158 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 21
- 무거운 원자 수
- 50
- 형식 전하
- 0
- 복잡도
- 1,100
물리화학적 성질
- 끓는 점
- 885.2 · 885.2±65.0 °C(Predicted)
- 밀도
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 13.79 · 13.79±0.20(Predicted)
관련 반응
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