Found 1 result

Search term: 78438746 (Found by CSID)
ChemSpider 2D Image | (3aS,7S,14E,17aS)-10-Hydroxy-12-methoxy-2,2,7-trimethyl-3a,4,5,6,7,16,17,17a-octahydro-9H-[1,3]dioxolo[4,5-g][2]benzoxacyclotetradecin-9-one | C22H30O6

(3aS,7S,14E,17aS)-10-Hydroxy-12-methoxy-2,2,7-trimethyl-3a,4,5,6,7,16,17,17a-octahydro-9H-[1,3]dioxolo[4,5-g][2]benzoxacyclotetradecin-9-one

  • Molecular FormulaC22H30O6
  • Average mass390.470 Da
  • Monoisotopic mass390.204254 Da
  • ChemSpider ID78438746

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3aS,7S,14E,17aS)-10-Hydroxy-12-methoxy-2,2,7-trimethyl-3a,4,5,6,7,16,17,17a-octahydro-9H-[1,3]dioxolo[4,5-g][2]benzoxacyclotetradecin-9-on [German] [ACD/IUPAC Name]
(3aS,7S,14E,17aS)-10-Hydroxy-12-methoxy-2,2,7-trimethyl-3a,4,5,6,7,16,17,17a-octahydro-9H-[1,3]dioxolo[4,5-g][2]benzoxacyclotetradecin-9-one [ACD/IUPAC Name]
(3aS,7S,14E,17aS)-10-Hydroxy-12-méthoxy-2,2,7-triméthyl-3a,4,5,6,7,16,17,17a-octahydro-9H-[1,3]dioxolo[4,5-g][2]benzoxacyclotétradécin-9-one [French] [ACD/IUPAC Name]
9H-1,3-Dioxolo[4,5-g][2]benzoxacyclotetradecin-9-one, 3a,4,5,6,7,16,17,17a-octahydro-10-hydroxy-12-methoxy-2,2,7-trimethyl-, (3aS,7S,14E,17aS)- [ACD/Index Name]
Paecilomycin H

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

Density: 1.1±0.1 g/cm3
Boiling Point: 588.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.0±3.0 kJ/mol
Flash Point: 202.3±23.6 °C
Index of Refraction: 1.502
Molar Refractivity: 105.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.96
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 2203.90
ACD/KOC (pH 5.5): 8574.07
ACD/LogD (pH 7.4): 4.42
ACD/BCF (pH 7.4): 1144.85
ACD/KOC (pH 7.4): 4453.94
Polar Surface Area: 74 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 34.3±3.0 dyne/cm
Molar Volume: 356.2±3.0 cm3

Click to predict properties on the Chemicalize site


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