3’Hydroxyquinalbarbitone

3’Hydroxyquinalbarbitone
Compound Structure:
Synonyms: 3'-Hydroxyquinalbarbitone;Hydroxyquinalbarbitone,3-; 5-Allyl-5-(3-hydroxy-1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
Compound ID: NMPC-333
PubChem ID:

534528
Molecular Formula: C12H18N2O4
Canonical SMILES: CC(CC(C)O)C1(C(=O)NC(=O)NC1=O)CC=C
InChIKey: UDJWOFMFUFEJJY-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

254.28 g/mol

XLogP3

0.7

Hydrogen Bond Donor Count

3

Hydrogen Bond Acceptor Count

4

Rotatable Bond Count

5

Exact Mass

254.12665706 g/mol

Monoisotopic Mass

254.12665706 g/mol

Topological Polar Surface Area

95.5Ų

Heavy Atom Count

18

Formal Charge

0

Complexity

372

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

2

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                                                         
Source Species: Rauvolfia vomitoria
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