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Basic information
- CAS
18997-57-4- Standard SMILES
Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12- InChIKey
YUDPTGPSBJVHCN-YMILTQATSA-N- Molecular formula
- C16H18O8
- Average molar mass
- 338.31 g/mol
- Monoisotopic mass
- 338.10016754
Overview
4-methylumbelliferyl beta-D-glucoside is a beta-D-glucoside having a 4-methylumbelliferyl substituent at the anomeric position. It has a role as a chromogenic compound. It is a beta-D-glucoside, a member of coumarins and a monosaccharide derivative. It is functionally related to a 4-methylumbelliferone.
Names & identifiers
- Preferred name
- 4-Methylumbelliferyl beta-D-glucopyranoside
- IUPAC
- 4-methyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Names & synonyms
18997-57-44-Methylumbelliferyl glucoside4-Methylumbelliferyl beta-D-glucopyranoside4-methylumbelliferyl beta-D-glucoside4-MU-glucoside4-Methylumbelliferyl-beta-glucosideDTXSID901275261CHEBI:91117MUbetaGlu4-methyl-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-chromen-2-one4-MU-alpha-glucoside4-methyl-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)-2H-chromen-2-one
Show more names
RefChem:525745DTXCID701705806242-736-74-methylumbelliferyl-alpha-D-glucopyranoside4-Methylumbelliferyl-beta-D-glucopyranoside4-Methylumbelliferyl |A-D-GlucopyranosideMFCD000636942H-1-Benzopyran-2-one, 7-(beta-D-glucopyranosyloxy)-4-methyl-
Database identifiers
- CAS
18997-57-4- PubChem CID
- 2733779
- DTXSID
DTXSID901275261- ChEMBL
CHEMBL1441570- ChEBI
CHEBI:91117
Properties
Computed structural propertiesFilling in
- XLogP
- -0.8
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 506
Experimental & physicochemical properties
Chemical ClassesOther Uses -> Biochemical Research
Physical DescriptionWhite solid; [Sigma-Aldrich MSDS]
Dissociation Constants2.82
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.
Not Classified
Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Suppliers100 total
临沂锎源化学科技有限公司13188735557 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
大连美仑生物技术有限公司0411-62910999 13889544652 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
北京绿百草科技发展有限公司010-61136123 · [email protected]
Related reactions
1 records
Compound notes
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