ChemSpider 2D Image | Saudin | C20H22O7

Saudin

  • Molecular FormulaC20H22O7
  • Average mass374.384 Da
  • Monoisotopic mass374.136566 Da
  • ChemSpider ID65321847

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(1S,3R,6R,12S,16R)-3-(3-Furyl)-6,12,16-trimethyl-2,8,14,17-tetraoxapentacyclo[7.6.1.13,9.01,12.05,16]heptadecan-7,13-dion [German] [ACD/IUPAC Name]
(1S,3R,6R,12S,16R)-3-(3-Furyl)-6,12,16-trimethyl-2,8,14,17-tetraoxapentacyclo[7.6.1.13,9.01,12.05,16]heptadecane-7,13-dione [ACD/IUPAC Name]
(1S,3R,6R,12S,16R)-3-(3-Furyl)-6,12,16-triméthyl-2,8,14,17-tétraoxapentacyclo[7.6.1.13,9.01,12.05,16]heptadécane-7,13-dione [French] [ACD/IUPAC Name]
5,9a-Epoxy-1H,3H-furo[3,4-f]pyrano[4,3,2-de][1]benzopyran-1,8(7H,10H)-dione, 5-(3-furanyl)hexahydro-7,9b,11a-trimethyl-, (3aS,5R,7R,9bR,11aS)- [ACD/Index Name]
Saudin

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

Density: 1.4±0.1 g/cm3
Boiling Point: 567.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 297.1±30.1 °C
Index of Refraction: 1.607
Molar Refractivity: 90.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.98
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 30.67
ACD/KOC (pH 5.5): 403.48
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 30.67
ACD/KOC (pH 7.4): 403.48
Polar Surface Area: 84 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 57.8±5.0 dyne/cm
Molar Volume: 261.7±5.0 cm3

Click to predict properties on the Chemicalize site


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