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(2S,4E)-1-(2,4-dihydroxy-5,6-dimethoxypyridin-3-yl)-2-methylhex-4-en-1-one

(2S,4E)-1-(2,4-dihydroxy-5,6-dimethoxypyridin-3-yl)-2-methylhex-4-en-1-one

CAS: 137813-88-8

Formula: C14H19NO5

SMILES: COC1=NC(O)=C(C(=O)[C@@H](C)CC=CC)C(O)=C1OC

IUPAC: (2S,4E)-1-(2,4-dihydroxy-5,6-dimethoxypyridin-3-yl)-2-methylhex-4-en-1-one

InChI: InChI=1S/C14H19NO5/c1-5-6-7-8(2)10(16)9-11(17)12(19-3)14(20-4)15-13(9)18/h5-6,8H,7H2,1-4H3,(H2,15,17,18)/b6-5+/t8-/m0/s1

Composition: C (59.78%), H (6.81%), N (4.98%), O (28.44%)

Molar Mass: 281.308

Atom Count: 39

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 281.126322716
Formal Charge 0
FSP3 0.43
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey FPYAYFJAGDIMEX-GJIOHYHPSA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.94
Topological Polar Surface Area 88.88
Polarizability 28.44
Ring Count 1
Rotatable Bond Count 6

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