GlyTouCan:G09597LJ

HCID 24749CAS 1990-29-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=CC(O)C(O)C(O)C(O)CO
InChIKey: GZCGUPFRVQAUEE-UHFFFAOYSA-N
분자식: C6H12O6
평균 분자량: 180.16 g/mol
단동위원소 질량: 180.0633881

개요

Aldohexose is a hexose with a (potential) aldehyde group at one end. It is an aldose and a hexose.

이름 및 식별자

우선 이름: GlyTouCan:G09597LJ
IUPAC: 2,3,4,5,6-pentahydroxyhexanal
영어명: D-ALTROSE
분자식: C6H12O6
분자량: 180.16

이름 및 동의어

RefChem:675366GlyTouCan:G09597LJG09597LJ2,3,4,5,6-pentahydroxyhexanal93780-23-53458-28-4Mannose, D-L-(-)-GalactoseD-Glucose-3,4-13C2D-(+)-GlucoseD-Glucose-2-d1D-(+) Glucose

이름 더 보기

Altd-[UL-13C6]altrose(2S,3R,4R,5R)-2,3,4,5,6-PentahydroxyhexanalaltroseD-ALTROSEB-D-AltroseALTROSE, D-α-D-AltroseD-(+)-ALTROSEALTROSE, D-(RG)

D-Mannose-3-13CL-(+)-Gulose67759-25-5Glucose, liquidAldohexoseGalactose, D-2,3,4,5,6-pentakis(oxidanyl)hexanalGalactose, L- (8CI)

데이터베이스 식별자

CAS: 1990-29-0、25191-16-6、2595-98-4、3458-28-4、45009-62-9、50-99-7、8027-56-3、93780-23-5
PubChem CID: 24749
DTXSID: DTXSID70860057
ChEMBL: CHEMBL1206211
ChEBI: CHEBI:33917
EC Number: 222-392-4
Nikkaji: J2.733.971I

물성

구조 계산 물성

XLogP: -2.9
극성 표면적: 118 Å²
수소 결합 공여자 수: 5
수소 결합 수용자 수: 6
회전 가능 결합 수: 5
무거운 원자 수: 12
형식 전하: 0
복잡도: 138

실험 및 물리화학적 성질

Chemical ClassesBiological Agents -> Monosaccharides and Derivatives

DrugsPharmaceuticals

Vapor Pressure0.00000002 [mmHg]

Physical DescriptionWhite hygroscopic powder; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 106 · 106-108 °C
끓는 점: 232.96 °C · 232.96°C (rough estimate)
밀도: 1.581 · 1.581
굴절률: 1.586 · 1.5860 (estimate)
저장 조건: 2 · 2-8°C
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨, 가열), 물(약간 용해됨)
물리적 상태: 가루
산도 계수 (pKa): 12.45 · 12.45±0.20(Predicted)
색상: 흰색에서 황백색까지
Merck: 13 · 13,319
BRN: 1724621 · 1724621
InChI: 1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2
InChIKey: GZCGUPFRVQAUEE-UHFFFAOYSA-N
SMILES: OC[C@H]1OC(O)[C@@H](O)[C@H](O)[C@@H]1O
LogP: -3.29 · -3.290 (est)

화학적 성질

white to off-white powder

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 99.4% (158 of 159) of all reports.

Not Classified

Aggregated GHS information provided per 159 reports by companies from 3 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 5건

Chemical: D-Mannose

Chemical: Liquid glucose

Status: Active Update: 15-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/23819

D-Mannose: Does not have an individual approval but may be used under an appropriate group standard

Liquid glucose: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Other Safety Information · 2건

IMAP assessments - D-Mannose: Human health tier I assessment

IMAP assessments - Liquid glucose: Human health tier I assessment

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS]

Hazard Classes and CategoriesNot Classified

안전 데이터

wgk: 3
HS 번호: 29400090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 24/25-36-26
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

UsesIsomer of glucose; [ChemIDplus]

General Manufacturing InformationD-Mannose: ACTIVE

응용 분야 · 1건

용도D-Altrose is the epimer of D-glucose at C3 and have recently been discovered to possess antioxidant properties by the suppression of reactive oxygen species production in mitochondria due to competiti on with D-glucose at the cellular level.