기본 정보
- 표준 SMILES
OC[C@H]1O[C@H](OC[C@H]2O[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(O)O[C@@H]4CO)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
FPBCRLIOSBQLHS-QVTSYAGHSA-N- 분자식
- C24H42O21
- 평균 분자량
- 666.6 g/mol
- 단동위원소 질량
- 666.22185834
개요
Isomaltosylmaltose is an oligosaccharide.
이름 및 식별자
- 우선 이름
- GlyTouCan:G55967QW
- IUPAC
- (2S,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
이름 및 동의어
RefChem:644906GlyTouCan:G55967QWG55967QWIsomaltosylmaltose(2S,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol6-ALPHA-D-GLUCOPYRANOSYL MALTOTRIOSE6-Alpha-D-Glucopyranosyl Maltotriose Deuterated (D9 Major)isomaltosyl maltose4-O-[4-O-(6-O-a-D-Glucopyranosyl-a-D-glucopyranosyl)-a-D-glucopyranosyl]-D-glucopyranose Deuterated; Glc-a-1,6-Glc-a-1,4-Glc-a-1,4Glc Deuterated;SCHEMBL55301836-?-D-Glucopyranosyl MaltotrioseCHEBI:151372
이름 더 보기
FPBCRLIOSBQLHS-QVTSYAGHSA-N6-alpha-D-GlucopyranosylmaltotrioseGlc(a1-6)Glc(a1-4)Glc(a1-4)GlcGlucose tetrasaccharide, >=99.0% (TLC)WURCS=2.0/2,4,3/[a2122h-1x_1-5][a2122h-1a_1-5]/1-2-2-2/a4-b1_b4-c1_c6-d1(2S,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol(3R,4R,5S,6R)-5-(((2R,3R,4R,5S,6R)-3,4-Dihydroxy-6-(hydroxymethyl)-5-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-2,3,4-triol4-O-(4-O-[6-O-alpha-d-glucopyranosyl-alpha-d-glucopyranosyl]-alpha-d-glucopyranosyl)-d-glucopyranose
데이터베이스 식별자
- PubChem CID
- 53810987
- ChEBI
CHEBI:151372- Nikkaji
- J709.599F
물성
구조 계산 물성
- XLogP
- -9
- 극성 표면적
- 348 Ų
- 수소 결합 공여자 수
- 14
- 수소 결합 수용자 수
- 21
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 918
관련 반응
4건
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