ChemSpider 2D Image | spirilloxanthin | C42H60O2

spirilloxanthin

  • Molecular FormulaC42H60O2
  • Average mass596.925 Da
  • Monoisotopic mass596.459351 Da
  • ChemSpider ID4518330

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3E,3'E)-1,1'-Dimethoxy-3,3',4,4'-tetradehydro-1,1',2,2'-tetrahydro-ψ,ψ-carotene [ACD/IUPAC Name]
(3E,3'E)-1,1'-Diméthoxy-3,3',4,4'-tétradéhydro-1,1',2,2'-tétrahydro-ψ,ψ-carotène [French] [ACD/IUPAC Name]
(3E,3'E)-1,1'-Dimethoxy-3,3',4,4'-tetradehydro-1,1',2,2'-tetrahydro-ψ,ψ-carotin [German] [ACD/IUPAC Name]
3,3',4,4'-Tetradehydro-1,1',2,2'-tetrahydro-1,1'-dimethoxylycopene
3,3',4,4'-Tetradehydro-1,1',2,2'-tetrahydro-1,1'-dimethoxy-y,y-carotene
spirilloxanthin
ψ,ψ-Carotene, 3,3',4,4'-tetradehydro-1,1',2,2'-tetrahydro-1,1'-dimethoxy-
ψ,ψ-Carotene, 3,3',4,4'-tetradehydro-1,1',2,2'-tetrahydro-1,1'-dimethoxy- [ACD/Index Name]
ψ,ψ-Carotene, 3,3',4,4'-tetradehydro-1,1',2,2'-tetrahydro-1,1'-dimethoxy-, (3E,3'E)- [ACD/Index Name]
(4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E)-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaene
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

P2OR1D365Y [DBID]
1717970 [DBID]
AIDS013381 [DBID]
AIDS-013381 [DBID]
NCI60_011309 [DBID]
NSC633983 [DBID]
UNII:P2OR1D365Y [DBID]
UNII-P2OR1D365Y [DBID]
  • Miscellaneous

    • Chemical Class:

      A carotenoid ether that is (3<stereo>E</stereo>,3'<stereo>E</stereo>)-1,1'-dihydroxy-3,3',4,4'-tetradehydro-1,1',2,2'-tetrahydro-<greek>psi</greek>,<greek>psi</greek>-carotene in which both hydroxyl h ydrogens are replaced by methyl groups. ChEBI CHEBI:35328
      A carotenoid ether that is (3E,3'E)-1,1'-dihydroxy-3,3',4,4'-tetradehydro-1,1',2,2'-tetrahydro-psi,psi-carotene in which both hydroxyl h; ydrogens are replaced by methyl groups. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:35328
      A carotenoid ether that is (3E,3'E)-1,1'-dihydroxy-3,3',4,4'-tetradehydro-1,1',2,2'-tetrahydro-psi,psi-carotene in which both hydroxyl hydrogens are replaced by methyl groups. ChEBI CHEBI:35328
  • Gas Chromatography

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 701.1±53.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.9±3.0 kJ/mol
Flash Point: 163.3±26.7 °C
Index of Refraction: 1.527
Molar Refractivity: 199.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 12.31
ACD/LogD (pH 5.5): 10.80
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.80
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 18 Å2
Polarizability: 79.2±0.5 10-24cm3
Surface Tension: 31.7±3.0 dyne/cm
Molar Volume: 650.4±3.0 cm3

Click to predict properties on the Chemicalize site


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