ChemSpider 2D Image | Salmoxanthin | C40H56O4

Salmoxanthin

  • Molecular FormulaC40H56O4
  • Average mass600.870 Da
  • Monoisotopic mass600.417847 Da
  • ChemSpider ID8683206
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(3S,3′S,5R,6S,6′R)-5,6-Epoxy-5,6-dihydro-β,ε-carotene-3,3′,6′-triol
(3S,3'S,5'R,6R,6'S)-4,5-Didehydro-5,5',6,6'-tetrahydro-5',6'-epoxy-β,β-carotene-3,3',6-triol [ACD/IUPAC Name]
(3S,3'S,5'R,6R,6'S)-4,5-Didéhydro-5,5',6,6'-tétrahydro-5',6'-époxy-β,β-carotène-3,3',6-triol [French] [ACD/IUPAC Name]
(3S,3'S,5'R,6R,6'S)-4,5-Didehydro-5,5',6,6'-tetrahydro-5',6'-epoxy-β,β-carotin-3,3',6-triol [German] [ACD/IUPAC Name]
75138-59-9 [RN]
Salmoxanthin
β,β-Carotene-3,3',6-triol, 4,5-didehydro-5',6'-epoxy-5,5',6,6'-tetrahydro-, (3S,3'S,5'R,6R,6'S)- [ACD/Index Name]

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

N763NE4BYH [DBID]
UNII:N763NE4BYH [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 726.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.1±6.0 kJ/mol
Flash Point: 393.0±32.9 °C
Index of Refraction: 1.607
Molar Refractivity: 190.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 9.14
ACD/LogD (pH 5.5): 7.79
ACD/BCF (pH 5.5): 492896.47
ACD/KOC (pH 5.5): 413472.38
ACD/LogD (pH 7.4): 7.79
ACD/BCF (pH 7.4): 492895.91
ACD/KOC (pH 7.4): 413471.91
Polar Surface Area: 73 Å2
Polarizability: 75.5±0.5 10-24cm3
Surface Tension: 47.8±3.0 dyne/cm
Molar Volume: 551.6±3.0 cm3

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