Found 33 results

Search term: MF = 'C_{38}H_{47}NO_{6}'
ChemSpider 2D Image | Ethyl (4Z)-6-[(2S,4S,5R)-4-(2-hydroxyphenyl)-2-{2-methyl-7-[4-(3-pyridinylcarbonyl)phenyl]-2-heptanyl}-1,3-dioxan-5-yl]-4-hexenoate | C38H47NO6

Ethyl (4Z)-6-[(2S,4S,5R)-4-(2-hydroxyphenyl)-2-{2-methyl-7-[4-(3-pyridinylcarbonyl)phenyl]-2-heptanyl}-1,3-dioxan-5-yl]-4-hexenoate

  • Molecular FormulaC38H47NO6
  • Average mass613.783 Da
  • Monoisotopic mass613.340332 Da
  • ChemSpider ID8230081

  • 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

(4Z)-6-[(2S,4S,5R)-4-(2-Hydroxyphényl)-2-{2-méthyl-7-[4-(3-pyridinylcarbonyl)phényl]-2-heptanyl}-1,3-dioxan-5-yl]-4-hexénoate d'éthyle [French] [ACD/IUPAC Name]
4-Hexenoic acid, 6-[(2S,4S,5R)-2-[1,1-dimethyl-6-[4-(3-pyridinylcarbonyl)phenyl]hexyl]-4-(2-hydroxyphenyl)-1,3-dioxan-5-yl]-, ethyl ester, (4Z)- [ACD/Index Name]
Ethyl (4Z)-6-[(2S,4S,5R)-4-(2-hydroxyphenyl)-2-{2-methyl-7-[4-(3-pyridinylcarbonyl)phenyl]-2-heptanyl}-1,3-dioxan-5-yl]-4-hexenoate [ACD/IUPAC Name]
Ethyl-(4Z)-6-[(2S,4S,5R)-4-(2-hydroxyphenyl)-2-{2-methyl-7-[4-(3-pyridinylcarbonyl)phenyl]-2-heptanyl}-1,3-dioxan-5-yl]-4-hexenoat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 684.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.0±3.0 kJ/mol
Flash Point: 367.6±31.5 °C
Index of Refraction: 1.554
Molar Refractivity: 176.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 7.63
ACD/LogD (pH 5.5): 7.33
ACD/BCF (pH 5.5): 217604.06
ACD/KOC (pH 5.5): 230082.02
ACD/LogD (pH 7.4): 7.32
ACD/BCF (pH 7.4): 217049.52
ACD/KOC (pH 7.4): 229495.69
Polar Surface Area: 95 Å2
Polarizability: 69.8±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 549.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement