기본 정보
- CAS
142382-46-5- 표준 SMILES
COC1C(OC(C)CCCCCC(CCCCCCCCCCCCCCCC2CC(=O)OCC3OC(OC(CCCCCCCCCCCCCC(CCCCCC(C)=O)OC4OC(CO)C(O)C(O)C4OC)CC(=O)OCC4OC(O2)C(O)C(O)C4O)C(O)C(O)C3O)OC2OC(CO)C(O)C(O)C2OC)OC(CO)C(O)C1O- InChIKey
XRRQVPARIZEWDY-UHFFFAOYSA-N- 분자식
- C83H150O33
- 평균 분자량
- 1,676.1 g/mol
- 단동위원소 질량
- 1,675.0059372
개요
Cycloviracin B2 is a lipopolysaccharide.
이름 및 식별자
- 우선 이름
- Cycloviracin B2
- IUPAC
- 3-[16,22-bis[[4,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl]oxy]tricosyl]-14-[14-[4,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl]oxy-20-oxohenicosyl]-9,10,11,20,21,22-hexahydroxy-2,6,13,17,23,24-hexaoxatricyclo[17.3.1.18,12]tetracosane-5,16-dione
- 현지명
- 시클로비라신B2
- 영어명
- cycloviracin B2
- 분자식
- C83H150O33
- 분자량
- 1676.06
이름 및 동의어
Cycloviracin B2Cycloviracin-B2142382-46-53-[16,22-bis[[4,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl]oxy]tricosyl]-14-[14-[4,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl]oxy-20-oxohenicosyl]-9,10,11,20,21,22-hexahydroxy-2,6,13,17,23,24-hexaoxatricyclo[17.3.1.18,12]tetracosane-5,16-dione3-(16,22-bis((4,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl)oxy)tricosyl)-14-(14-(4,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl)oxy-20-oxohenicosyl)-9,10,11,20,21,22-hexahydroxy-2,6,13,17,23,24-hexaoxatricyclo(17.3.1.18,12)tetracosane-5,16-dioneRefChem:1300482,6,13,17,23,24-Hexaoxatricyclo(17.3.1.1(8,12))tetracosane-5,16-dione, 3-(16,22-bis(2-O-methyl-beta-D-glucopyranosyl)oxy)tricosyl)-9,10,11,20,21,22-hexahydroxy-14-(14-(14-((2-O-methyl-beta-D-glucopyranosyl)oxy)-20-oxoheneicosyl)-orb3024583CHEBI:202116TN10338시클로비라신B22,6,13,17,23,24-Hexaoxatricyclo[17.3.1.18,12]tetracosane-5,16-dione, 3-[16,22-bis[(2-O-methyl-β-D-glucopyranosyl)oxy]tricosyl]-9,10,11,20,21,22-hexahydroxy-14-[14-[(2-O-methyl-β-D-glucopyranosyl)oxy]-20-oxoheneicosyl]- (9CI)
물성
구조 계산 물성
- XLogP
- 7.8
- 극성 표면적
- 493 Ų
- 수소 결합 공여자 수
- 15
- 수소 결합 수용자 수
- 33
- 회전 가능 결합 수
- 54
- 무거운 원자 수
- 116
- 형식 전하
- 0
- 복잡도
- 2,570
물리화학적 성질
- 끓는 점
- 1453.7 · 1453.7±65.0 °C(Predicted)
- 밀도
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.56 · 12.56±0.70(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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