ChemSpider 2D Image | Roridin L2 | C29H38O9

Roridin L2

  • Molecular FormulaC29H38O9
  • Average mass530.607 Da
  • Monoisotopic mass530.251587 Da
  • ChemSpider ID76714578

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(2Z,4E)-7-Hydroxy-6-[2-(5-oxo-2,5-dihydro-3-furanyl)éthoxy]-2,4-octadiénoate de (4β)-15-hydroxy-12,13-époxytrichothec-9-én-4-yle [French] [ACD/IUPAC Name]
(4β)-15-Hydroxy-12,13-epoxytrichothec-9-en-4-yl (2Z,4E)-7-hydroxy-6-[2-(5-oxo-2,5-dihydro-3-furanyl)ethoxy]-2,4-octadienoate [ACD/IUPAC Name]
(4β)-15-Hydroxy-12,13-epoxytrichothec-9-en-4-yl-(2Z,4E)-7-hydroxy-6-[2-(5-oxo-2,5-dihydro-3-furanyl)ethoxy]-2,4-octadienoat [German] [ACD/IUPAC Name]
2,4-Octadienoic acid, 6-[2-(2,5-dihydro-5-oxo-3-furanyl)ethoxy]-7-hydroxy-, (4β)-12,13-epoxy-15-hydroxytrichothec-9-en-4-yl ester, (2Z,4E)- [ACD/Index Name]
85124-22-7 [RN]
Roridin L2
12,13-Epoxy-4β-[[(2Z,4E)-6-[2-(2,5-dihydro-5-oxofuran-3-yl)ethoxy]-7-hydroxy-1-oxo-2,4-octadienyl]oxy]trichothec-9-en-15-ol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 718.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.9±6.0 kJ/mol
Flash Point: 234.3±26.4 °C
Index of Refraction: 1.594
Molar Refractivity: 137.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 0.99
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 10.28
ACD/KOC (pH 5.5): 184.56
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 10.28
ACD/KOC (pH 7.4): 184.56
Polar Surface Area: 124 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 57.1±5.0 dyne/cm
Molar Volume: 404.6±5.0 cm3

Click to predict properties on the Chemicalize site


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