Home Aminos 2H-1-Benzopyran-2-one, 7-[(2-amino-2-deoxy-α-D-glucopyranosyl)oxy]-4-methyl-

2H-1-Benzopyran-2-one, 7-[(2-amino-2-deoxy-α-D-glucopyranosyl)oxy]-4-methyl-

CAS No.:
137687-00-4
Catalog Number:
AG0013QR
Molecular Formula:
C16H19NO7
Molecular Weight:
337.3246
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Product Description
Catalog Number:
AG0013QR
Chemical Name:
2H-1-Benzopyran-2-one, 7-[(2-amino-2-deoxy-α-D-glucopyranosyl)oxy]-4-methyl-
CAS Number:
137687-00-4
Molecular Formula:
C16H19NO7
Molecular Weight:
337.3246
MDL Number:
MFCD01863431
IUPAC Name:
7-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-methylchromen-2-one
InChI:
InChI=1S/C16H19NO7/c1-7-4-12(19)23-10-5-8(2-3-9(7)10)22-16-13(17)15(21)14(20)11(6-18)24-16/h2-5,11,13-16,18,20-21H,6,17H2,1H3/t11-,13-,14-,15-,16+/m1/s1
InChI Key:
XPBYRVZLJCNXMD-BTAUDXDXSA-N
SMILES:
OC[C@H]1O[C@H](Oc2ccc3c(c2)oc(=O)cc3C)[C@@H]([C@H]([C@@H]1O)O)N
Properties
Complexity:
511  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
337.116g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
337.328g/mol
Monoisotopic Mass:
337.116g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1  
Properties