Found 14 results

Search term: MF = 'C_{39}H_{60}O_{9}'
ChemSpider 2D Image | Ethoxymethyl (2alpha,3beta,5xi,9xi,18xi)-2,3,23-triacetoxyurs-12-en-28-oate | C39H60O9

Ethoxymethyl (2α,3β,5ξ,9ξ,18ξ)-2,3,23-triacetoxyurs-12-en-28-oate

  • Molecular FormulaC39H60O9
  • Average mass672.888 Da
  • Monoisotopic mass672.423706 Da
  • ChemSpider ID23187236

  • defined stereocentres - 9 of 12 defined stereocentres

More details:

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

(2α,3β,5ξ,9ξ,18ξ)-2,3,23-Triacétoxyurs-12-én-28-oate d'éthoxyméthyle [French] [ACD/IUPAC Name]
Ethoxymethyl (2α,3β,5ξ,9ξ,18ξ)-2,3,23-triacetoxyurs-12-en-28-oate [ACD/IUPAC Name]
ethoxymethyl (2α,3β,5ξ,9ξ,18ξ)-2,3,23-tris(acetyloxy)urs-12-en-28-oate
Ethoxymethyl-(2α,3β,5ξ,9ξ,18ξ)-2,3,23-triacetoxyurs-12-en-28-oat [German] [ACD/IUPAC Name]
Urs-12-en-28-oic acid, 2,3,23-tris(acetyloxy)-, ethoxymethyl ester, (2α,3β,5ξ,9ξ,18ξ)- [ACD/Index Name]
20-ethoxymethyloxycarbonyl-1,2,6,10,16,17-hexamethyl-7,8-di(methylcarbonyloxy)-(17R)-pentacyclo[12.8.0.02,11.05,10.015,20]docos-13-en-6-ylmethyl acetate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 658.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.9±3.0 kJ/mol
Flash Point: 264.1±31.5 °C
Index of Refraction: 1.530
Molar Refractivity: 181.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 9.43
ACD/LogD (pH 5.5): 9.14
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2237949.00
ACD/LogD (pH 7.4): 9.14
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2237949.00
Polar Surface Area: 114 Å2
Polarizability: 71.8±0.5 10-24cm3
Surface Tension: 45.0±5.0 dyne/cm
Molar Volume: 586.3±5.0 cm3

Click to predict properties on the Chemicalize site


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