기본 정보
- CAS
34280-28-9- 표준 SMILES
CC1/C=C/C=C/C=C/C=C/C(O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)CC2OC(O)(CC(O)CC(O)C/C=C/C(=O)OC1C)CC(O)C2C(=O)O- InChIKey
VHMCOPURFQAZFP-KJWBGIDASA-N- 분자식
- C34H51NO13
- 평균 분자량
- 681.8 g/mol
- 단동위원소 질량
- 681.33604068
개요
Tetrin A has been reported in Streptomyces and Streptomyces hygroscopicus with data available.
이름 및 식별자
- 우선 이름
- Tetrin A
- IUPAC
- (7E,13E,15E,17E,19E)-21-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,25-tetrahydroxy-11,12-dimethyl-9-oxo-10,27-dioxabicyclo[21.3.1]heptacosa-7,13,15,17,19-pentaene-24-carboxylic acid
- 현지명
- 테트린A
- 영어명
- Tetrin A
- 분자식
- C34H51NO13
- 분자량
- 681.78
이름 및 동의어
Tetrin A34280-28-9(7E,13E,15E,17E,19E)-21-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,25-tetrahydroxy-11,12-dimethyl-9-oxo-10,27-dioxabicyclo[21.3.1]heptacosa-7,13,15,17,19-pentaene-24-carboxylic acid(7E,13E,15E,17E,19E)-21-((2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-1,3,5,25-tetrahydroxy-11,12-dimethyl-9-oxo-10,27-dioxabicyclo(21.3.1)heptacosa-7,13,15,17,19-pentaene-24-carboxylic acidRefChem:188926SCHEMBL4662565(4E,6E,8E,10E,16E)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-19,21,23,25-tetrahydroxy-12,13-dimethyl-15-oxo-14,27-dioxabicyclo[21.3.1]heptacosa-4,6,8,10,16-pentaene-26-carboxylic acid테트린A21-[(3-Amino-3,6-dideoxy-β-D-mannopyranosyl)oxy]-1,3,5,25-tetrahydroxy-11,12-dimethyl-9-oxo-10,27-dioxabicyclo[21.3.1]heptacosa-7,13,15,17,19-pentene-24-carboxylic acid10,27-Dioxabicyclo[21.3.1]heptacosa-7,13,15,17,19-pentaene-24-carboxylic acid, 21-[(3-amino-3,6-dideoxy-β-D-mannopyranosyl)oxy]-1,3,5,25-tetrahydroxy-11,12-dimethyl-9-oxo-, (1R,3S,5S,7E,11R,12S,13E,15E,17E,19E,21R,23S,24R,25S)-
물성
구조 계산 물성
- XLogP
- -0.9
- 극성 표면적
- 239 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 48
- 형식 전하
- 0
- 복잡도
- 1,200
물리화학적 성질
- 끓는 점
- 956.6 · 956.6±65.0 °C(Predicted)
- 밀도
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 3.71 · 3.71±0.70(Predicted)
화학 및 산업
공급사1 곳
CHEMICAL LAND21[email protected]
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