기본 정보
- CAS
220757-06-2- 표준 SMILES
CC/C=C\C=C/C(=O)N/C=C/C[C@H]1C[C@H]2C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)C[C@H](Cc3cccc(O)c3C(=O)O1)O2- InChIKey
JVMDGHNCVYGPGG-ZBGHJEECSA-N- 분자식
- C33H44N2O11
- 평균 분자량
- 644.7 g/mol
- 단동위원소 질량
- 644.29451022
개요
(2Z,4Z)-N-[(E)-3-[(1S,11S,13R,15R)-15-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-hydroxy-9-oxo-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3(8),4,6-trien-11-yl]prop-1-enyl]hepta-2,4-dienamide is a N-acyl-hexosamine.
이름 및 식별자
- 우선 이름
- Apicularen B
- IUPAC
- (2Z,4Z)-N-[(E)-3-[(1S,11S,13R,15R)-15-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-hydroxy-9-oxo-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3(8),4,6-trien-11-yl]prop-1-enyl]hepta-2,4-dienamide
- 영어명
- apicularen B
- 분자식
- C33H44N2O11
- 분자량
- 644.72
이름 및 동의어
Apicularen B220757-06-2(2Z,4Z)-N-[(E)-3-[(1S,11S,13R,15R)-15-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-hydroxy-9-oxo-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3(8),4,6-trien-11-yl]prop-1-enyl]hepta-2,4-dienamide(2Z,4Z)-N-((E)-3-((1S,11S,13R,15R)-15-((2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-7-hydroxy-9-oxo-10,17-dioxatricyclo(11.3.1.03,8)heptadeca-3(8),4,6-trien-11-yl)prop-1-enyl)hepta-2,4-dienamideRefChem:113396orb2564195SCHEMBL29711312CHEBI:202269HY-N12413TN7631CS-09053222,4-Heptadienamide, N-[(1E)-3-[(3S,5R,7R,9S)-7-[[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]oxy]-3,4,5,6,7,8,9,10-octahydro-14-hydroxy-1-oxo-5,9-epoxy-1H-2-benzoxacyclododecin-3-yl]-1-propen-1-yl]-, (2Z,4Z)-
데이터베이스 식별자
- CAS
220757-06-2- PubChem CID
- 10627958
- ChEBI
CHEBI:202269- Nikkaji
- J1.018.874A
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 193 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 46
- 형식 전하
- 0
- 복잡도
- 1,110
물리화학적 성질
- 끓는 점
- 979.1 · 979.1±65.0 °C(Predicted)
- 밀도
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 7.93 · 7.93±0.60(Predicted)
화학 및 산업
공급사1 곳
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
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