ChemSpider 2D Image | 5-{(4S)-2-(4-Methoxyphenyl)-4-[(trityloxy)methyl]-1,3-dioxolan-4-yl}-2-pentyn-1-ol | C35H34O5

5-{(4S)-2-(4-Methoxyphenyl)-4-[(trityloxy)methyl]-1,3-dioxolan-4-yl}-2-pentyn-1-ol

  • Molecular FormulaC35H34O5
  • Average mass534.641 Da
  • Monoisotopic mass534.240601 Da
  • ChemSpider ID29323186

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

2-Pentyn-1-ol, 5-[(4S)-2-(4-methoxyphenyl)-4-[(triphenylmethoxy)methyl]-1,3-dioxolan-4-yl]- [ACD/Index Name]
5-{(4S)-2-(4-Methoxyphenyl)-4-[(trityloxy)methyl]-1,3-dioxolan-4-yl}-2-pentin-1-ol [German] [ACD/IUPAC Name]
5-{(4S)-2-(4-Methoxyphenyl)-4-[(trityloxy)methyl]-1,3-dioxolan-4-yl}-2-pentyn-1-ol [ACD/IUPAC Name]
5-{(4S)-2-(4-Méthoxyphényl)-4-[(trityloxy)méthyl]-1,3-dioxolan-4-yl}-2-pentyn-1-ol [French] [ACD/IUPAC Name]
(4S)-5-[2-(4-methoxyphenyl)-4-(trityloxymethyl)-1,3-dioxolan-4-yl]pent-2-yn-1-ol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 673.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.8±3.0 kJ/mol
Flash Point: 360.8±31.5 °C
Index of Refraction: 1.593
Molar Refractivity: 154.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 8.25
ACD/LogD (pH 5.5): 7.02
ACD/BCF (pH 5.5): 126868.69
ACD/KOC (pH 5.5): 156516.13
ACD/LogD (pH 7.4): 7.02
ACD/BCF (pH 7.4): 126868.41
ACD/KOC (pH 7.4): 156515.78
Polar Surface Area: 57 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 457.0±3.0 cm3

Click to predict properties on the Chemicalize site


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