Prosophylline

Prosophylline
Compound Structure:
Synonyms: 12-[(2S,5S,6R)-5-hydroxy-6-(hydroxymethyl)piperidin-2-yl]dodecan-3-one
Compound ID: NMPC-1436
PubChem ID:

10859963
Molecular Formula: C18H35NO3
Canonical SMILES: CCC(=O)CCCCCCCCCC1CCC(C(N1)CO)O
InChIKey: KYBOBXNXZQTAKA-JQHSSLGASA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

313.5 g/mol

XLogP3-AA

3.6

Hydrogen Bond Donor Count

3

Hydrogen Bond Acceptor Count

4

Rotatable Bond Count

12

Exact Mass

313.26169398 g/mol

Monoisotopic Mass

313.26169398 g/mol

Topological Polar Surface Area

69.6Ų

Heavy Atom Count

22

Formal Charge

0

Complexity

296

Isotope Atom Count

0

Defined Atom Stereocenter Count

3

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                      

                                                                                             
Source Species: Prosopis africana
Download SDF