ChemSpider 2D Image | (1S)-1,2-O-Isopropylidene-4-O-(4-methoxybenzyl)-1-C-[(2S,7E)-8-(4-methoxyphenyl)-7-octen-2-yl]-D-arabinitol | C31H44O7

(1S)-1,2-O-Isopropylidene-4-O-(4-methoxybenzyl)-1-C-[(2S,7E)-8-(4-methoxyphenyl)-7-octen-2-yl]-D-arabinitol

  • Molecular FormulaC31H44O7
  • Average mass528.677 Da
  • Monoisotopic mass528.308716 Da
  • ChemSpider ID9289269

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S)-1,2-O-Isopropyliden-4-O-(4-methoxybenzyl)-1-C-[(2S,7E)-8-(4-methoxyphenyl)-7-octen-2-yl]-D-arabinitol [German] [ACD/IUPAC Name]
(1S)-1,2-O-Isopropylidene-4-O-(4-methoxybenzyl)-1-C-[(2S,7E)-8-(4-methoxyphenyl)-7-octen-2-yl]-D-arabinitol [ACD/IUPAC Name]
(1S)-1,2-O-Isopropylidène-4-O-(4-méthoxybenzyl)-1-C-[(2S,7E)-8-(4-méthoxyphényl)-7-octén-2-yl]-D-arabinitol [French] [ACD/IUPAC Name]
D-glycero-L-gulo-Heptitol, 6,7-dideoxy-6-[(5E)-6-(4-methoxyphenyl)-5-hexen-1-yl]-2-O-[(4-methoxyphenyl)methyl]-4,5-O-(1-methylethylidene)- [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: 669.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 358.6±30.1 °C
Index of Refraction: 1.547
Molar Refractivity: 150.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 7.23
ACD/LogD (pH 5.5): 6.10
ACD/BCF (pH 5.5): 25401.06
ACD/KOC (pH 5.5): 49496.92
ACD/LogD (pH 7.4): 6.10
ACD/BCF (pH 7.4): 25401.04
ACD/KOC (pH 7.4): 49496.86
Polar Surface Area: 87 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 42.7±3.0 dyne/cm
Molar Volume: 475.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement