ChemSpider 2D Image | (3R,5S,7R,9R,11R,13S)-3,13-Bis[(benzyloxy)methoxy]-1,5,7,9,11,15-pentadecanehexol | C31H48O10

(3R,5S,7R,9R,11R,13S)-3,13-Bis[(benzyloxy)methoxy]-1,5,7,9,11,15-pentadecanehexol

  • Molecular FormulaC31H48O10
  • Average mass580.707 Da
  • Monoisotopic mass580.324768 Da
  • ChemSpider ID9795946

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3R,5S,7R,9R,11R,13S)-3,13-Bis[(benzyloxy)methoxy]-1,5,7,9,11,15-pentadecanehexol [ACD/IUPAC Name]
(3R,5S,7R,9R,11R,13S)-3,13-Bis[(benzyloxy)méthoxy]-1,5,7,9,11,15-pentadécanehexol [French] [ACD/IUPAC Name]
(3R,5S,7R,9R,11R,13S)-3,13-Bis[(benzyloxy)methoxy]-1,5,7,9,11,15-pentadecanhexol [German] [ACD/IUPAC Name]
1,5,7,9,11,15-Pentadecanehexol, 3,13-bis[(phenylmethoxy)methoxy]-, (3R,5S,7R,9R,11R,13S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 766.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.0±3.0 kJ/mol
Flash Point: 417.1±32.9 °C
Index of Refraction: 1.564
Molar Refractivity: 155.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 3
ACD/LogP: 1.41
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 14.13
ACD/KOC (pH 5.5): 231.65
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 14.13
ACD/KOC (pH 7.4): 231.65
Polar Surface Area: 158 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 54.8±3.0 dyne/cm
Molar Volume: 476.3±3.0 cm3

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