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Trans-Phytoene

CAT: 1596-AR-P01851-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P01851-01Size:10 Units
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CAS Number
540-04-5
Synonyms
(6E,10E,14E,16E,18E,22E,26E) -2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,22,26,30-nonaene; 7,7',8,8',11,11',12,12'-Octahydro-?, ?-carotene; 2,6,10,14,19,23,27,31-octamethyl-2,6,10,14,16,18,22,26,30-dotriacontanonaene; all-trans-7,7',8,8',11,11',12,12'-Octahydro-lycopene
Molecular Formula
C40H64
Molecular Weight
544.95
API Name
Phytoene

Chemical Information

Phytoene

All-trans-phytoene is the all-trans-isomer of phytoene. It has a role as a plant metabolite.

CAS Number540-04-5
PubChem CID5280784
IUPAC Name(6E,10E,14E,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,22,26,30-nonaene
Molecular FormulaC40H64
Molecular Weight544.9
XLogP15.3
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count20
Heavy Atom Count40
Formal Charge0
Complexity887
SMILES
CC(=CCC/C(=C/CC/C(=C/CC/C(=C/C=C/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)/C)/C)/C)C
InChI
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+
InChIKey
YVLPJIGOMTXXLP-KEKOKYSKSA-N
Chemical Structure
2D Structure
2D structure of Phytoene
CAS: 540-04-5
CID: 5280784
Formula: C40H64
MW: 544.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight544.9
XLogP315.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count20
Exact Mass544.500802041
Monoisotopic Mass544.500802041
Topological Polar Surface Area0 Ų
Heavy Atom Count40
Formal Charge0
Complexity887
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count7
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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