Identification

PhytoHub ID
PHUB000208
Name
9-E1-phytoprostane
Synonyms
Not Available
CAS Number
Not Available
Average Mass
326.433
Monoisotopic Mass
326.209324066
Chemical Formula
C18H30O5
IUPAC Name
(10E)-11-(2-ethyl-5-hydroxy-3-oxocyclopentyl)-9-hydroxyundec-10-enoic acid
InChI Key
GEVZHBGQVSRMPD-ZHACJKMWSA-N
InChI Identifier
InChI=1S/C18H30O5/c1-2-14-15(17(21)12-16(14)20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-15,17,19,21H,2-9,12H2,1H3,(H,22,23)/b11-10+
SMILES
CCC1C(\C=C\C(O)CCCCCCCC(O)=O)C(O)CC1=O
Structure

Calculated Properties

Solubility (ALOGPS)
3.67e-01 g/l
LogS (ALOGPS)
-2.95
LogP (ALOGPS)
2.36
Hydrogen Acceptors
5
Hydrogen Donors
3
Rotatable Bond Count
11
Polar Surface Area
94.83000000000001
Refractivity
89.11649999999997
Polarizability
37.91343965061762
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-1.6263173862360034
pKa (strongest acidic)
4.676745490985823
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Taxonomy

Family
Miscellaneous phytochemicals
Class
Phytoprostanes
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

No food source information available

Metabolism

No metabolism information available

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