(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(1R,2S,3R,4R,5R)-3,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
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기본 정보
- CAS
122274-98-0- 표준 SMILES
OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H]6OC[C@H]5O6)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
ZGSGCZRTELCXRT-FFFJRYSISA-N- 분자식
- C30H50O25
- 평균 분자량
- 810.7 g/mol
- 단동위원소 질량
- 810.26411708
이름 및 식별자
- 우선 이름
- (2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(1R,2S,3R,4R,5R)-3,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
- IUPAC
- (2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(1R,2S,3R,4R,5R)-3,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
- 영어명
- Cellopentaosan
- 분자식
- C30H50O25
- 분자량
- 810.71
이름 및 동의어
122274-98-0Cellopentaosan1,6-Anhydro-b-D-cellopentose1,6-Anhydro-β-D-cellopentaose1,6-Anhydro-beta-D-cellopentaose1,6-Anhydro-beta-D-cellopentaose min. 98%β-D-Glucopyranose, O-β-D-glucopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→4)-1,6-anhydro- (9CI)O-beta-D-Glucopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-4)-1,6-anhydro-beta-D-glucopyranose
데이터베이스 식별자
- CAS
122274-98-0- PubChem CID
- 168435520
물성
구조 계산 물성보충 중
- XLogP
- -10.2
- 극성 표면적
- 396 Ų
- 수소 결합 공여자 수
- 15
- 수소 결합 수용자 수
- 25
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 55
- 형식 전하
- 0
- 복잡도
- 1,220
물리화학적 성질
- 끓는 점
- 1159.5 · 1159.5±65.0 °C(Predicted)
- 밀도
- 1.84 · 1.84±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.75 · 12.75±0.70(Predicted)
관련 반응
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