CAS 28541-83-5 | 2H-1-Benzopyran-2-one, 7-(α-D-mannopyranosyloxy)-4-methyl- | CAS Number 28541-83-5

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28541-83-5 | 2H-1-Benzopyran-2-one, 7-(α-D-mannopyranosyloxy)-4-methyl-

CAS No: 28541-83-5 Catalog No: AG002VOE MDL No:MFCD03791282

Product Description

Catalog Number:

AG002VOE

Chemical Name:

2H-1-Benzopyran-2-one, 7-(α-D-mannopyranosyloxy)-4-methyl-

CAS Number:

28541-83-5

Molecular Formula:

C16H18O8

Molecular Weight:

338.3093

MDL Number:

MFCD03791282

IUPAC Name:

4-methyl-7-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one

InChI:

InChI=1S/C16H18O8/c1-7-4-12(18)23-10-5-8(2-3-9(7)10)22-16-15(21)14(20)13(19)11(6-17)24-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15+,16+/m1/s1

InChI Key:

YUDPTGPSBJVHCN-VMMWWAARSA-N

SMILES:

OC[C@H]1O[C@H](Oc2ccc3c(c2)oc(=O)cc3C)[C@H]([C@H]([C@@H]1O)O)O

EC Number:

249-073-2

Properties

Complexity:

506

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

338.1g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

338.312g/mol

Monoisotopic Mass:

338.1g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

126A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.8

Literature

Title	Journal
Glycosyl coumarin carbonic anhydrase IX and XII inhibitors strongly attenuate the growth of primary breast tumors.	Journal of medicinal chemistry 20111222
Structure-based drug design and optimization of mannoside bacterial FimH antagonists.	Journal of medicinal chemistry 20100624
Class II alpha-mannosidase from Aspergillus fischeri: energetics of catalysis and inhibition.	International journal of biological macromolecules 20090101
Role of concanavalin A lectin in recognition of pterygium remnant after surgical excision: preliminary results of a prospective study.	Indian journal of ophthalmology 20070101
Molecular cloning and expression of an alpha-mannosidase gene in Mycobacterium tuberculosis.	Microbial pathogenesis 20010101