ChemSpider 2D Image | (2R,4aR,6S,7R,8S,8aR)-6-Methoxy-2-[(1R,2S,3S)-1,2,3,4-tetraacetoxybutyl]hexahydropyrano[3,2-d][1,3]dioxine-7,8-diyl dibenzoate | C34H38O16

(2R,4aR,6S,7R,8S,8aR)-6-Methoxy-2-[(1R,2S,3S)-1,2,3,4-tetraacetoxybutyl]hexahydropyrano[3,2-d][1,3]dioxine-7,8-diyl dibenzoate

  • Molecular FormulaC34H38O16
  • Average mass702.656 Da
  • Monoisotopic mass702.216003 Da
  • ChemSpider ID9426089

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2R,4aR,6S,7R,8S,8aR)-6-Methoxy-2-[(1R,2S,3S)-1,2,3,4-tetraacetoxybutyl]hexahydropyrano[3,2-d][1,3]dioxin-7,8-diyl-dibenzoat [German] [ACD/IUPAC Name]
(2R,4aR,6S,7R,8S,8aR)-6-Methoxy-2-[(1R,2S,3S)-1,2,3,4-tetraacetoxybutyl]hexahydropyrano[3,2-d][1,3]dioxine-7,8-diyl dibenzoate [ACD/IUPAC Name]
Dibenzoate de (2R,4aR,6S,7R,8S,8aR)-6-méthoxy-2-[(1R,2S,3S)-1,2,3,4-tétraacétoxybutyl]hexahydropyrano[3,2-d][1,3]dioxine-7,8-diyle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 720.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.3±3.0 kJ/mol
Flash Point: 294.0±32.9 °C
Index of Refraction: 1.562
Molar Refractivity: 167.2±0.4 cm3
#H bond acceptors: 16
#H bond donors: 0
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 6.13
ACD/LogD (pH 5.5): 5.00
ACD/BCF (pH 5.5): 3714.69
ACD/KOC (pH 5.5): 12500.99
ACD/LogD (pH 7.4): 5.00
ACD/BCF (pH 7.4): 3714.69
ACD/KOC (pH 7.4): 12500.99
Polar Surface Area: 195 Å2
Polarizability: 66.3±0.5 10-24cm3
Surface Tension: 57.1±5.0 dyne/cm
Molar Volume: 515.1±5.0 cm3

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