Trihydroxy-octadecenoic acid

Trihydroxy-octadecenoic acid
Compound Structure:
Synonyms: trihydroxyoctadecenoic acid
Compound ID: NMPC-1574
PubChem ID:

129629627
Molecular Formula: C18H34O5
Canonical SMILES: C(CCCCCCCC(O)(O)O)CCCCCCC=CC(=O)O
InChIKey: ZFULIMDGARVKBJ-UHFFFAOYSA-N
About the compound:
Properties:

Computed Properties

Property Name

Property Value

Molecular Weight

330.5 g/mol

XLogP3-AA

5.2

Hydrogen Bond Donor Count

4

Hydrogen Bond Acceptor Count

5

Rotatable Bond Count

16

Exact Mass

330.24062418 g/mol

Monoisotopic Mass

330.24062418 g/mol

Topological Polar Surface Area

98Ų

Heavy Atom Count

23

Formal Charge

0

Complexity

307

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

1

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source:PubChem
Source Species: Luffa cylindrica
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