Molecular Identity
4-Methylumbelliferyl beta-D-galactopyranoside
4-methyl-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
PubChem CID: 93577
4-methylumbelliferyl beta-D-galactoside is a beta-D-galactoside having a 4-methylumbelliferyl substituent at the anomeric position. It has a role as a chromogenic compound. It is a member of coumarins, a beta-D-galactoside and a monosaccharide derivative. It is functionally related to a 4-methylumbelliferone.
2D Structure
Properties
C16H18O8
Molecular Formula
338.31
Molecular Weight
g/mol
338.1002
Exact Mass
Da
-0.8
XLogP
Drug-like (Lipinski: < 5)
126
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
8
H-Bond Acceptors
506
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(C(O3)CO)O)O)OIsomeric SMILES
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)OSynonyms(20)
6160-78-74-Methylumbelliferyl-beta-D-galactopyranoside4-Methylumbelliferyl beta-D-galactopyranoside4-Methylumbelliferyl-galactopyranoside4-Methylumbelliferyl beta-galactoside4-Methylumbelliferyl-alpha-D-galactopyranoside4-MUBF-GP4-methylumbelliferone-alpha-D-galactosideRefChem:5257494-methylumbelliferyl-galactopyranoside, ((beta-D)-galactosyloxy)-228-185-54-Methylumbelliferyl b-D-galactoside4-methylumbelliferyl beta-d-galactosideMFCD000367734-Methylumbelliferyl b-D-galactopyranoside
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 4-Methylumbelliferyl beta-D-galactopyranoside
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