ChemSpider 2D Image | (3R)-3-[(Benzyloxy)methoxy]-4-[(4S,6R)-6-{[(4S,6S)-6-{(2R)-2-[(benzyloxy)methoxy]-4-hydroxybutyl}-2,2-dimethyl-1,3-dioxan-4-yl]methyl}-2,2-dimethyl-1,3-dioxan-4-yl]-1-butanol | C37H56O10

(3R)-3-[(Benzyloxy)methoxy]-4-[(4S,6R)-6-{[(4S,6S)-6-{(2R)-2-[(benzyloxy)methoxy]-4-hydroxybutyl}-2,2-dimethyl-1,3-dioxan-4-yl]methyl}-2,2-dimethyl-1,3-dioxan-4-yl]-1-butanol

  • Molecular FormulaC37H56O10
  • Average mass660.834 Da
  • Monoisotopic mass660.387329 Da
  • ChemSpider ID9321862

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3R)-3-[(Benzyloxy)methoxy]-4-[(4S,6R)-6-{[(4S,6S)-6-{(2R)-2-[(benzyloxy)methoxy]-4-hydroxybutyl}-2,2-dimethyl-1,3-dioxan-4-yl]methyl}-2,2-dimethyl-1,3-dioxan-4-yl]-1-butanol [ACD/IUPAC Name]
(3R)-3-[(Benzyloxy)methoxy]-4-[(4S,6R)-6-{[(4S,6S)-6-{(2R)-2-[(benzyloxy)methoxy]-4-hydroxybutyl}-2,2-dimethyl-1,3-dioxan-4-yl]methyl}-2,2-dimethyl-1,3-dioxan-4-yl]-1-butanol [German] [ACD/IUPAC Name]
(3R)-3-[(Benzyloxy)méthoxy]-4-[(4S,6R)-6-{[(4S,6S)-6-{(2R)-2-[(benzyloxy)méthoxy]-4-hydroxybutyl}-2,2-diméthyl-1,3-dioxan-4-yl]méthyl}-2,2-diméthyl-1,3-dioxan-4-yl]-1-butanol [French] [ACD/IUPAC Name]
1,3-Dioxane-4-butanol, 6,6'-methylenebis[2,2-dimethyl-γ-[(phenylmethoxy)methoxy]-, (γR,4S,6S)- [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: 742.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.6±3.0 kJ/mol
Flash Point: 402.6±31.5 °C
Index of Refraction: 1.512
Molar Refractivity: 179.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 4.50
ACD/LogD (pH 5.5): 4.59
ACD/BCF (pH 5.5): 1808.38
ACD/KOC (pH 5.5): 7467.33
ACD/LogD (pH 7.4): 4.59
ACD/BCF (pH 7.4): 1808.38
ACD/KOC (pH 7.4): 7467.33
Polar Surface Area: 114 Å2
Polarizability: 71.1±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 597.3±3.0 cm3

Click to predict properties on the Chemicalize site


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