기본 정보
- CAS
359436-87-6- 표준 SMILES
COC(=O)CCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2NC(C)=O)[C@H](OCc2ccccc2)[C@H]1NC(C)=O- InChIKey
PGFXJMPZFBARGQ-FIRVRKSFSA-N- 분자식
- C39H58N2O16
- 평균 분자량
- 810.9 g/mol
- 단동위원소 질량
- 810.37863377
이름 및 식별자
- 우선 이름
- 8-Methoxycarbonyl-3-benzyl-3,4,6,6-tetra-O-acetyl-N,N-diacetyl-b-chitobioside
- IUPAC
- methyl 9-[(2R,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4-phenylmethoxyoxan-2-yl]oxynonanoate
- 영어명
- 8-Methoxycarbonyloctyl2-acetamido-4-O-(2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-b-D-glucopyranosyl)-3-O-benzyl-2-deoxy-b-D-glucopyranoside
- 분자식
- C39H58N2O16
- 분자량
- 810.88
이름 및 동의어
359436-87-68-Methoxycarbonyl-3-benzyl-3,4,6,6-tetra-O-acetyl-N,N-diacetyl-b-chitobioside8-Methoxycarbonyloctyl 2-acetamido-4-O-(2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-b-D-glucopyranosyl)-3-O-benzyl-2-deoxy-b-D-glucopyranosidemethyl 9-[(2R,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4-phenylmethoxyoxan-2-yl]oxynonanoate(2R,3S,4R,5R,6S)-5-Acetamido-6-(((2R,3S,4R,5R,6R)-5-acetamido-4-(benzyloxy)-2-(hydroxymethyl)-6-((9-methoxy-9-oxononyl)oxy)tetrahydro-2H-pyran-3-yl)oxy)-2-(acetoxymethyl)tetrahydro-2H-pyran-3,4-diyl diacetate8-Methoxycarbonyloctyl2-acetamido-4-O-(2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-b-D-glucopyranosyl)-3-O-benzyl-2-deoxy-b-D-glucopyranosideDTXSID501100044OM064858-Methoxycarbonyl-3-benzyl-3',4',6',6-tetra-O-acetyl-N,N'-diacetyl-b-chitobioside8-Methoxycarbonyloctyl 2-acetamido-4-O-(2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-b-D-glucopyranosyl)-3-O-benzyl-2-deoxy-b-D-glucopyran oside8-Methoxycarbonyloctyl 2-acetamido-4-O-(2-acetamido-3-4-6-tri-O-acetyl-2-deoxy-beta-D-glucopyranosyl)-3-O-benzyl-2-deoxy-beta-D-glucopyranoside
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 230 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 26
- 무거운 원자 수
- 57
- 형식 전하
- 0
- 복잡도
- 1,290
물리화학적 성질
- 끓는 점
- 905.2 · 905.2±65.0 °C(Predicted)
- 밀도
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 13.55 · 13.55±0.70(Predicted)
화학 및 산업
공급사1 곳
BOC Sciences16314854226 · [email protected]
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