ChemSpider 2D Image | Cyclodiadinoxanthin | C40H54O3

Cyclodiadinoxanthin

  • Molecular FormulaC40H54O3
  • Average mass582.855 Da
  • Monoisotopic mass582.407288 Da
  • ChemSpider ID9061653

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3R,3'S,5'R,6'R)-7,8-Didehydro-5',6'-dihydro-3',6'-epoxy-β,β-carotene-3,5'-diol [ACD/IUPAC Name]
(3R,3'S,5'R,6'R)-7,8-Didéhydro-5',6'-dihydro-3',6'-époxy-β,β-carotène-3,5'-diol [French] [ACD/IUPAC Name]
(3R,3'S,5'R,6'R)-7,8-Didehydro-5',6'-dihydro-3',6'-epoxy-β,β-carotin-3,5'-diol [German] [ACD/IUPAC Name]
256505-52-9 [RN]
Cyclodiadinoxanthin
β,β-Carotene-3,5'-diol, 7,8-didehydro-3',6'-epoxy-5',6'-dihydro-, (3R,3'S,5'R,6'R)- [ACD/Index Name]
(3S,5R,6S,3'R)-3,6-Epoxy-7',8'-didehydro-5,6-hydro-β,β-carotene-5,3'-diol
Diatoxanthin 3,6-epoxide
Stellettadine A
wai'anaeamine B

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

Density: 1.1±0.1 g/cm3
Boiling Point: 692.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 116.1±6.0 kJ/mol
Flash Point: 372.8±31.5 °C
Index of Refraction: 1.576
Molar Refractivity: 181.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 10.56
ACD/LogD (pH 5.5): 9.12
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2186614.50
ACD/LogD (pH 7.4): 9.12
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2186614.50
Polar Surface Area: 50 Å2
Polarizability: 72.1±0.5 10-24cm3
Surface Tension: 45.0±5.0 dyne/cm
Molar Volume: 549.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement