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Search term: CC(C)=C\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)CCCC(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | Rhodopin B-D-Glucoside | C46H66O6

Rhodopin B-D-Glucoside

  • Molecular FormulaC46H66O6
  • Average mass715.013 Da
  • Monoisotopic mass714.485962 Da
  • ChemSpider ID4451278

  • 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

(3E)-3,4-Didehydro-1',2'-dihydro-ψ,ψ-caroten-1'-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3E)-3,4-Didehydro-1',2'-dihydro-ψ,ψ-carotin-1'-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Rhodopin B-D-Glucoside
β-D-Glucopyranoside de (3E)-3,4-didéhydro-1',2'-dihydro-ψ,ψ-carotén-1'-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3E)-3,4-didehydro-1',2'-dihydro-ψ,ψ-caroten-1'-yl [ACD/Index Name]
RG1
RHODOPIN GLUCOSIDE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 853.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 141.0±6.0 kJ/mol
Flash Point: 470.0±34.3 °C
Index of Refraction: 1.566
Molar Refractivity: 219.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 11.14
ACD/LogD (pH 5.5): 9.38
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3022814.75
ACD/LogD (pH 7.4): 9.38
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3022798.25
Polar Surface Area: 99 Å2
Polarizability: 87.1±0.5 10-24cm3
Surface Tension: 45.6±5.0 dyne/cm
Molar Volume: 673.8±5.0 cm3

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