Found 65 results

Search term: MF = 'C_{22}H_{28}O_{10}'
ChemSpider 2D Image | Methyl (3aS,4S,5R,6E,8S,10E,11aR)-5-acetoxy-8-hydroxy-10-(hydroxymethyl)-4-(isobutyryloxy)-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-6-carboxylate | C22H28O10

Methyl (3aS,4S,5R,6E,8S,10E,11aR)-5-acetoxy-8-hydroxy-10-(hydroxymethyl)-4-(isobutyryloxy)-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-6-carboxylate

  • Molecular FormulaC22H28O10
  • Average mass452.452 Da
  • Monoisotopic mass452.168243 Da
  • ChemSpider ID30815216

  • 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

(3aS,4S,5R,6E,8S,10E,11aR)-5-Acétoxy-8-hydroxy-10-(hydroxyméthyl)-4-(isobutyryloxy)-3-méthylène-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodéca[b]furane-6-carboxylate de méthyle [French] [ACD/IUPAC Name]
Cyclodeca[b]furan-6-carboxylic acid, 5-(acetyloxy)-2,3,3a,4,5,8,9,11a-octahydro-8-hydroxy-10-(hydroxymethyl)-3-methylene-4-(2-methyl-1-oxopropoxy)-2-oxo-, methyl ester, (3aS,4S,5R,6E,8S,10E,11aR)- [ACD/Index Name]
Methyl (3aS,4S,5R,6E,8S,10E,11aR)-5-acetoxy-8-hydroxy-10-(hydroxymethyl)-4-(isobutyryloxy)-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-6-carboxylate [ACD/IUPAC Name]
Methyl-(3aS,4S,5R,6E,8S,10E,11aR)-5-acetoxy-8-hydroxy-10-(hydroxymethyl)-4-(isobutyryloxy)-3-methylen-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-6-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 635.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 107.6±6.0 kJ/mol
Flash Point: 215.6±25.0 °C
Index of Refraction: 1.547
Molar Refractivity: 109.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.06
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 15.95
ACD/KOC (pH 5.5): 252.71
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 15.95
ACD/KOC (pH 7.4): 252.71
Polar Surface Area: 146 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 53.4±5.0 dyne/cm
Molar Volume: 343.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement