ChemSpider 2D Image | (2R,3R,4S,4aS,9Z,15aR)-3,4-Bis(benzyloxy)-2-methoxy-2,3,4,4a,7,8,11,12,15,15a-decahydropyrano[3,2-b][1,5]dioxacyclotridecine-6,13-dione | C29H34O8

(2R,3R,4S,4aS,9Z,15aR)-3,4-Bis(benzyloxy)-2-methoxy-2,3,4,4a,7,8,11,12,15,15a-decahydropyrano[3,2-b][1,5]dioxacyclotridecine-6,13-dione

  • Molecular FormulaC29H34O8
  • Average mass510.576 Da
  • Monoisotopic mass510.225372 Da
  • ChemSpider ID30658668

  • 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

(2R,3R,4S,4aS,9Z,15aR)-3,4-Bis(benzyloxy)-2-methoxy-2,3,4,4a,7,8,11,12,15,15a-decahydropyrano[3,2-b][1,5]dioxacyclotridecin-6,13-dion [German] [ACD/IUPAC Name]
(2R,3R,4S,4aS,9Z,15aR)-3,4-Bis(benzyloxy)-2-methoxy-2,3,4,4a,7,8,11,12,15,15a-decahydropyrano[3,2-b][1,5]dioxacyclotridecine-6,13-dione [ACD/IUPAC Name]
(2R,3R,4S,4aS,9Z,15aR)-3,4-Bis(benzyloxy)-2-méthoxy-2,3,4,4a,7,8,11,12,15,15a-décahydropyrano[3,2-b][1,5]dioxacyclotridécine-6,13-dione [French] [ACD/IUPAC 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: 699.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.4±3.0 kJ/mol
Flash Point: 294.8±31.5 °C
Index of Refraction: 1.572
Molar Refractivity: 136.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.21
ACD/LogD (pH 5.5): 4.88
ACD/BCF (pH 5.5): 3032.20
ACD/KOC (pH 5.5): 10810.28
ACD/LogD (pH 7.4): 4.88
ACD/BCF (pH 7.4): 3032.20
ACD/KOC (pH 7.4): 10810.28
Polar Surface Area: 90 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 51.0±5.0 dyne/cm
Molar Volume: 415.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement