기본 정보
- 표준 SMILES
OC[C@H]1O[C@H](OC[C@H]2OC(O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O- InChIKey
DLRVVLDZNNYCBX-RTPHMHGBSA-N- 분자식
- C12H22O11
- 평균 분자량
- 342.3 g/mol
개요
Isomaltose is a glycosylglucose consisting of two D-glucopyranose units connected by an alpha-(16)-linkage. It has a role as a metabolite, a mouse metabolite and a human metabolite.
이름 및 식별자
- 우선 이름
- Isomaltose
- IUPAC
- (3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
이름 및 동의어
ISOMALTOSE499-40-1Brachiose6-O-alpha-D-glucopyranosyl-D-glucopyranoseCHEBI:28189(3R,4S,5S,6R)-6-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-2,3,4,5-tetrol(3R,4S,5S,6R)-6-((((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)methyl)oxane-2,3,4,5-tetrolRefChem:923733GlyTouCan:G39326SA6-((3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxymethyl)oxane-2,3,4,5-tetrolDTXCID001770707G39326SA
이름 더 보기
207-879-16-O-alpha-D-Glucopyranosyl-D-glucose67I334IX2MD-Glucose, 6-O-alpha-D-glucopyranosyl-DTXSID701015178Glc| cent1, 6Glc(3R,4S,5S,6R)-6-((((2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-2-YL)OXY)METHYL)TETRAHYDRO-2H-PYRAN-2,3,4,5-TETRAOL(3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
데이터베이스 식별자
- CAS
499-40-1- PubChem CID
- 439193
- ChEMBL
CHEMBL66675- ChEBI
CHEBI:28189- EC Number
- 207-879-1
- Nikkaji
- J38.558A
물성
구조 계산 물성
- XLogP
- -4.7
- 극성 표면적
- 190 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 382
실험 및 물리화학적 성질
Collision Cross Section
171.96 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
180.77 Ų [M-H]- [CCS Type: DT; Method: stepped-field]
180.1 Ų [M-H]-
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 99.3% (140 of 141) of all reports.
Not Classified
Aggregated GHS information provided per 141 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesNot Classified
관련 반응
9건
연결된 노트
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