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1246616-73-8 | 2H-Pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxylic acid, 3,4,6,8,12,12a-hexahydro-7-hydroxy-4-methyl-6,8-dioxo-, (4R,12aS)-
CAS No: 1246616-73-8 Catalog No: AG000MK0 MDL No:
Product Description
Catalog Number:
AG000MK0
Chemical Name:
2H-Pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxylic acid, 3,4,6,8,12,12a-hexahydro-7-hydroxy-4-methyl-6,8-dioxo-, (4R,12aS)-
CAS Number:
1246616-73-8
Molecular Formula:
C13H14N2O6
Molecular Weight:
294.2601
IUPAC Name:
(3S,7R)-11-hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxylic acid
InChI:
InChI=1S/C13H14N2O6/c1-6-2-3-21-8-5-14-4-7(13(19)20)10(16)11(17)9(14)12(18)15(6)8/h4,6,8,17H,2-3,5H2,1H3,(H,19,20)/t6-,8+/m1/s1
InChI Key:
KVXRWTBFPVMIGC-SVRRBLITSA-N
SMILES:
C[C@@H]1CCO[C@@H]2N1C(=O)c1n(C2)cc(c(=O)c1O)C(=O)O
Properties
Complexity:
608
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
294.085g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
294.263g/mol
Monoisotopic Mass:
294.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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