ChemSpider 2D Image | (5S,6S,7R,8S,10S)-8,10-Bis(benzyloxy)-7-{[(4-methoxybenzyl)oxy]methyl}-2,2,7-trimethyl-1,3-dioxaspiro[4.5]decane-6-carbaldehyde | C35H42O7

(5S,6S,7R,8S,10S)-8,10-Bis(benzyloxy)-7-{[(4-methoxybenzyl)oxy]methyl}-2,2,7-trimethyl-1,3-dioxaspiro[4.5]decane-6-carbaldehyde

  • Molecular FormulaC35H42O7
  • Average mass574.704 Da
  • Monoisotopic mass574.293030 Da
  • ChemSpider ID9203401

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(5S,6S,7R,8S,10S)-8,10-Bis(benzyloxy)-7-{[(4-methoxybenzyl)oxy]methyl}-2,2,7-trimethyl-1,3-dioxaspiro[4.5]decan-6-carbaldehyd [German] [ACD/IUPAC Name]
(5S,6S,7R,8S,10S)-8,10-Bis(benzyloxy)-7-{[(4-methoxybenzyl)oxy]methyl}-2,2,7-trimethyl-1,3-dioxaspiro[4.5]decane-6-carbaldehyde [ACD/IUPAC Name]
(5S,6S,7R,8S,10S)-8,10-Bis(benzyloxy)-7-{[(4-méthoxybenzyl)oxy]méthyl}-2,2,7-triméthyl-1,3-dioxaspiro[4.5]décane-6-carbaldéhyde [French] [ACD/IUPAC Name]
1,3-Dioxaspiro[4.5]decane-6-carboxaldehyde, 7-[[(4-methoxyphenyl)methoxy]methyl]-2,2,7-trimethyl-8,10-bis(phenylmethoxy)-, (5S,6S,7R,8S,10S)- [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: 656.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.7±3.0 kJ/mol
Flash Point: 271.3±31.5 °C
Index of Refraction: 1.584
Molar Refractivity: 161.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.84
ACD/LogD (pH 5.5): 7.15
ACD/BCF (pH 5.5): 159492.13
ACD/KOC (pH 5.5): 184373.06
ACD/LogD (pH 7.4): 7.15
ACD/BCF (pH 7.4): 159492.13
ACD/KOC (pH 7.4): 184373.06
Polar Surface Area: 72 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 50.2±5.0 dyne/cm
Molar Volume: 483.0±5.0 cm3

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