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(2R,3S,4S,5R)-3-[[(1S,3S,4S,5S)-8-[(2S,3R,4S,5S,6R)-4-[[(1S,3S,4S,5S)-8-[(2S,3R,5S,6R)-4-[[(1S,3S,4S,5S)-8-[(2S,3R,4S,5S,6R)-4-[[(1S,3S,4S,5R)-4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-2,4,5,6-tetrahydroxyhexanal

HCID 178709106
새 노트새 반응견적 요청하기인쇄 미리보기
기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
25023-94-3
표준 SMILES
O=C[C@H](O)[C@@H](O[C@@H]1O[C@H]2CO[C@H](C2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H]4CO[C@H](C4O[C@@H]4O[C@H](CO)[C@H](O)C(O[C@@H]5O[C@H]6CO[C@H](C6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H]8CO[C@H](C8O)[C@@H]7O)[C@H]6O)[C@@H]5O)[C@H]4O)[C@@H]3O)[C@H]2O)[C@@H]1O)[C@@H](O)[C@H](O)CO
InChIKey
YHOLSJVLUAPELZ-KTTJDTHHSA-N
분자식
C48H74O37
평균 분자량
1,243.1 g/mol
단동위원소 질량
1,242.3908933

이름 및 식별자

우선 이름
(2R,3S,4S,5R)-3-[[(1S,3S,4S,5S)-8-[(2S,3R,4S,5S,6R)-4-[[(1S,3S,4S,5S)-8-[(2S,3R,5S,6R)-4-[[(1S,3S,4S,5S)-8-[(2S,3R,4S,5S,6R)-4-[[(1S,3S,4S,5R)-4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-2,4,5,6-tetrahydroxyhexanal
IUPAC
(2R,3S,4S,5R)-3-[[(1S,3S,4S,5S)-8-[(2S,3R,4S,5S,6R)-4-[[(1S,3S,4S,5S)-8-[(2S,3R,5S,6R)-4-[[(1S,3S,4S,5S)-8-[(2S,3R,4S,5S,6R)-4-[[(1S,3S,4S,5R)-4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-2,4,5,6-tetrahydroxyhexanal
영어명
Neoagarooctaose
분자식
C48H74O37
분자량
1243.08

이름 및 동의어

MFCD31916337NeoagarooctaoseD-Galactose, O-3,6-anhydro-α-L-galactopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→4)-O-3,6-anhydro-α-L-galactopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→4)-O-3,6-anhydro-α-L-galactopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→4)-O-3,6-anhydro-α-L-galactopyranosyl-(1→3)-D-O-3,6-Anhydro-alpha-L-galactopyranosyl-(1-3)-O-beta-D-galactopyranosyl-(1-4)-O-3,6-anhydro-alpha-L-galactopyranosyl-(1-3)-O-beta-D-galactopyranosyl-(1-4)-O-3,6-anhydro-alpha-L-galactopyranosyl-(1-3)-O-beta-D-galactopyranosyl-(1-4)-O-3,6-anhydro-alpha-L-galactopyranosyl-(1-3)-galactose

데이터베이스 식별자

CAS
25023-94-3
PubChem CID
167994491

물성

구조 계산 물성

XLogP
-12.8
극성 표면적
547 Ų
수소 결합 공여자 수
18
수소 결합 수용자 수
37
회전 가능 결합 수
22
무거운 원자 수
85
형식 전하
0
복잡도
2,180

물리화학적 성질

밀도
1.84 · 1.84±0.1 g/cm3(Predicted)
산도 계수 (pKa)
12.25 · 12.25±0.20(Predicted)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

안전 데이터

HS 번호
29400090

화학 및 산업

응용 분야

용도Neoagarooctaose is a polymeric, bioactive oligosaccharide which is biosynthetically prepared from agarose, or, through hydrolysis of Gracilaria lemaneiformis agar.

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