Found 6 results

Search term: MF = 'C_{41}H_{48}O_{9}'
ChemSpider 2D Image | (3S,4S,5S,6S)-4,5,6-Tris[(4-methoxybenzyl)oxy]-7-{[(4-methoxybenzyl)oxy]methyl}-1,7-octadien-3-ol | C41H48O9

(3S,4S,5S,6S)-4,5,6-Tris[(4-methoxybenzyl)oxy]-7-{[(4-methoxybenzyl)oxy]methyl}-1,7-octadien-3-ol

  • Molecular FormulaC41H48O9
  • Average mass684.814 Da
  • Monoisotopic mass684.329834 Da
  • ChemSpider ID9483423

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3S,4S,5S,6S)-4,5,6-Tris[(4-methoxybenzyl)oxy]-7-{[(4-methoxybenzyl)oxy]methyl}-1,7-octadien-3-ol [ACD/IUPAC Name]
(3S,4S,5S,6S)-4,5,6-Tris[(4-methoxybenzyl)oxy]-7-{[(4-methoxybenzyl)oxy]methyl}-1,7-octadien-3-ol [German] [ACD/IUPAC Name]
(3S,4S,5S,6S)-4,5,6-Tris[(4-méthoxybenzyl)oxy]-7-{[(4-méthoxybenzyl)oxy]méthyl}-1,7-octadién-3-ol [French] [ACD/IUPAC Name]
L-manno-Oct-7-enitol, 2,7,8-trideoxy-1,3,4,5-tetrakis-O-[(4-methoxyphenyl)methyl]-2-methylene- [ACD/Index 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: 771.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.8±3.0 kJ/mol
Flash Point: 420.5±32.9 °C
Index of Refraction: 1.566
Molar Refractivity: 194.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 2
ACD/LogP: 9.98
ACD/LogD (pH 5.5): 7.58
ACD/BCF (pH 5.5): 341893.03
ACD/KOC (pH 5.5): 318223.53
ACD/LogD (pH 7.4): 7.58
ACD/BCF (pH 7.4): 341892.66
ACD/KOC (pH 7.4): 318223.16
Polar Surface Area: 94 Å2
Polarizability: 77.1±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 596.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement