ChemSpider 2D Image | LSM-36730 | C38H42O11

LSM-36730

  • Molecular FormulaC38H42O11
  • Average mass674.734 Da
  • Monoisotopic mass674.272705 Da
  • ChemSpider ID58159273

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3R,5E,8R,10aR,11S,13R,14R,14aS)-3,8-Dibenzyl-13-(hydroxymethyl)-11-methoxy-2,9-dioxo-2,3,4,7,8,9,10a,13,14,14a-decahydro-11H-pyrano[3,4-b][1,4]dioxacyclododecin-14-yl 2,6-dimethoxybenzoate (non-prefe rred name) [ACD/IUPAC Name]
(3R,5E,8R,10aR,11S,13R,14R,14aS)-3,8-Dibenzyl-13-(hydroxymethyl)-11-methoxy-2,9-dioxo-2,3,4,7,8,9,10a,13,14,14a-decahydro-11H-pyrano[3,4-b][1,4]dioxacyclododecin-14-yl-2,6-dimethoxybenzoat (non-prefer red name) [German] [ACD/IUPAC Name]
2,6-Diméthoxybenzoate de (3R,5E,8R,10aR,11S,13R,14R,14aS)-3,8-dibenzyl-13-(hydroxyméthyl)-11-méthoxy-2,9-dioxo-2,3,4,7,8,9,10a,13,14,14a-décahydro-11H-pyrano[3,4-b][1,4]dioxacyclododécin-14-yle (non-p referred name) [French] [ACD/IUPAC Name]
LSM-36730

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

Density: 1.3±0.1 g/cm3
Boiling Point: 773.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.1±3.0 kJ/mol
Flash Point: 235.5±26.4 °C
Index of Refraction: 1.600
Molar Refractivity: 178.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 6.36
ACD/LogD (pH 5.5): 6.03
ACD/BCF (pH 5.5): 22741.68
ACD/KOC (pH 5.5): 45729.79
ACD/LogD (pH 7.4): 6.03
ACD/BCF (pH 7.4): 22741.68
ACD/KOC (pH 7.4): 45729.79
Polar Surface Area: 136 Å2
Polarizability: 70.8±0.5 10-24cm3
Surface Tension: 57.9±5.0 dyne/cm
Molar Volume: 521.5±5.0 cm3

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