(Z)-2,3-dihydroxypro-9-octadecenoic acid

(Z)-2,3-dihydroxypro-9-octadecenoic acid
Compound Structure:
Synonyms: (Z)-2,3-dihydroxypro-9-octadecenoic acid
Compound ID: NMPC-066
PubChem ID:

157472360
Molecular Formula: C126H240O24
Canonical SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O.CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O.CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O.CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O.CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O.CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O
InChIKey: BVEQJEBZVHXTEJ-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

2139.2 g/mol

Hydrogen Bond Donor Count

12

Hydrogen Bond Acceptor Count

24

Rotatable Bond Count

114

Exact Mass

2138.75931335 g/mol

Monoisotopic Mass

2137.75595852 g/mol

Topological Polar Surface Area

401Ų

Heavy Atom Count

150

Formal Charge

0

Complexity

315

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

6

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

6

Covalently-Bonded Unit Count

6

Compound Is Canonicalized

Yes

Source: PubChem

                                                         
Source Species: Tamarindus indica
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