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Search term: NXEFUAFHBLRHFO-DDUHONCASA-N (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1',2'-Dihydro-phi,psi-caroten-1'-yl 6-O-dodecanoyl-beta-D-glucopyranoside | C58H86O7

1',2'-Dihydro-phi,ψ-caroten-1'-yl 6-O-dodecanoyl-β-D-glucopyranoside

  • Molecular FormulaC58H86O7
  • Average mass895.299 Da
  • Monoisotopic mass894.637329 Da
  • ChemSpider ID113385808

  • 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

1',2'-Dihydro-phi,ψ-caroten-1'-yl 6-O-dodecanoyl-β-D-glucopyranoside [ACD/IUPAC Name]
1',2'-Dihydro-phi,ψ-carotin-1'-yl-6-O-dodecanoyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-Dodecanoyl-β-D-glucopyranoside de 1',2'-dihydro-phi,ψ-carotén-1'-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 1',2'-dihydro-phi,ψ-caroten-1'-yl 6-O-(1-oxododecyl)- [ACD/Index Name]
1'-[(6-O-lauryl-β-D-glucopyranosyl)oxy]-1',2'-dihydro-β,ψ-carotene
OH-Chlorobactene glucoside laurate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 935.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.6±3.0 kJ/mol
Flash Point: 250.1±27.8 °C
Index of Refraction: 1.555
Molar Refractivity: 273.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 29
#Rule of 5 Violations: 2
ACD/LogP: 18.68
ACD/LogD (pH 5.5): 15.63
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.63
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 105 Å2
Polarizability: 108.3±0.5 10-24cm3
Surface Tension: 45.6±5.0 dyne/cm
Molar Volume: 851.6±5.0 cm3

Click to predict properties on the Chemicalize site


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