Identification

PhytoHub ID
PHUB000457
Name
Phytoene (15-Z-)
Synonyms
Not Available
CAS Number
Not Available
Average Mass
544.952
Monoisotopic Mass
544.500802061
Chemical Formula
C40H64
IUPAC Name
cis-phytoene
InChI Key
YVLPJIGOMTXXLP-BHLJUDRVSA-N
InChI Identifier
InChI=1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3/b12-11-,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+
SMILES
CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\C=C/C=C(\C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C
Structure

Calculated Properties

Solubility (ALOGPS)
3.17e-04 g/l
LogS (ALOGPS)
-6.23
LogP (ALOGPS)
9.60
Hydrogen Acceptors
0
Hydrogen Donors
0
Rotatable Bond Count
20
Polar Surface Area
0.0
Refractivity
193.33960000000008
Polarizability
74.42801239879475
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
Not Available
pKa (strongest acidic)
Not Available
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Taxonomy

Family
Terpenoids
Class
Carotenoids
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

NameGroup
ApricotFruit, Drupes PublicationsShow

Metabolism

No metabolism information available

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