Home Other Building Blocks 2H-1-Benzopyran-2-one, 7-(b-D-mannopyranosyloxy)-4-methyl-

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

CAS No.:
67909-30-2
Catalog Number:
AG00FBF1
Molecular Formula:
C16H18O8
Molecular Weight:
338.3093
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Product Description
Catalog Number:
AG00FBF1
Chemical Name:
2H-1-Benzopyran-2-one, 7-(b-D-mannopyranosyloxy)-4-methyl-
CAS Number:
67909-30-2
Molecular Formula:
C16H18O8
Molecular Weight:
338.3093
MDL Number:
MFCD00069855
IUPAC Name:
4-methyl-7-[(2S,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-NZBFACKJSA-N
SMILES:
OCC1O[C@@H](Oc2ccc3c(c2)oc(=O)cc3C)C([C@@H]([C@@H]1O)O)O C16H18O8
Properties
Complexity:
506  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
338.1g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
338.312g/mol
Monoisotopic Mass:
338.1g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  
Literature
Title Journal
Overexpression and purification of Aspergillus aculeatus beta-mannosidase and analysis of the integrated gene in Aspergillus oryzae. Journal of bioscience and bioengineering 20010101
Properties