ChemSpider 2D Image | Methyl (16alpha,19E)-16-(hydroxymethyl)-1,2-didehydrocur-19-en-17-oate | C21H24N2O3

Methyl (16α,19E)-16-(hydroxymethyl)-1,2-didehydrocur-19-en-17-oate

  • Molecular FormulaC21H24N2O3
  • Average mass352.427 Da
  • Monoisotopic mass352.178680 Da
  • ChemSpider ID29763444
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(16α,19E)-16-(Hydroxyméthyl)-1,2-didéhydrocur-19-én-17-oate de méthyle [French] [ACD/IUPAC Name]
Cur-19-en-17-oic acid, 1,2-didehydro-16-(hydroxymethyl)-, methyl ester, (16α,19E)- [ACD/Index Name]
Methyl (16α,19E)-16-(hydroxymethyl)-1,2-didehydrocur-19-en-17-oate [ACD/IUPAC Name]
Methyl-(16α,19E)-16-(hydroxymethyl)-1,2-didehydrocur-19-en-17-oat [German] [ACD/IUPAC Name]
Preakuammicine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 500.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 81.0±3.0 kJ/mol
Flash Point: 256.5±30.1 °C
Index of Refraction: 1.694
Molar Refractivity: 97.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.22
ACD/LogD (pH 5.5): 0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.60
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 19.06
ACD/KOC (pH 7.4): 251.41
Polar Surface Area: 62 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 55.0±7.0 dyne/cm
Molar Volume: 253.5±7.0 cm3

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