ChemSpider 2D Image | (2S,4S)-2-(3-{(4S,6R)-6-[(2S)-2,4-Dihydroxybutyl]-2,2-dimethyl-1,3-dioxan-4-yl}-2-oxopropyl)-6-hydroxytetrahydro-2H-pyran-4-yl 4-methoxybenzoate | C26H38O10

(2S,4S)-2-(3-{(4S,6R)-6-[(2S)-2,4-Dihydroxybutyl]-2,2-dimethyl-1,3-dioxan-4-yl}-2-oxopropyl)-6-hydroxytetrahydro-2H-pyran-4-yl 4-methoxybenzoate

  • Molecular FormulaC26H38O10
  • Average mass510.574 Da
  • Monoisotopic mass510.246490 Da
  • ChemSpider ID9170009

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(2S,4S)-2-(3-{(4S,6R)-6-[(2S)-2,4-Dihydroxybutyl]-2,2-dimethyl-1,3-dioxan-4-yl}-2-oxopropyl)-6-hydroxytetrahydro-2H-pyran-4-yl 4-methoxybenzoate [ACD/IUPAC Name]
(2S,4S)-2-(3-{(4S,6R)-6-[(2S)-2,4-Dihydroxybutyl]-2,2-dimethyl-1,3-dioxan-4-yl}-2-oxopropyl)-6-hydroxytetrahydro-2H-pyran-4-yl-4-methoxybenzoat [German] [ACD/IUPAC Name]
4-Méthoxybenzoate de (2S,4S)-2-(3-{(4S,6R)-6-[(2S)-2,4-dihydroxybutyl]-2,2-diméthyl-1,3-dioxan-4-yl}-2-oxopropyl)-6-hydroxytétrahydro-2H-pyran-4-yle [French] [ACD/IUPAC Name]
Benzoic acid, 4-methoxy-, (2S,4S)-2-[3-[(4S,6R)-6-[(2S)-2,4-dihydroxybutyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-oxopropyl]tetrahydro-6-hydroxy-2H-pyran-4-yl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 699.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.5±3.0 kJ/mol
Flash Point: 229.3±25.0 °C
Index of Refraction: 1.560
Molar Refractivity: 128.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 0.76
ACD/LogD (pH 5.5): 1.08
ACD/BCF (pH 5.5): 3.87
ACD/KOC (pH 5.5): 91.72
ACD/LogD (pH 7.4): 1.08
ACD/BCF (pH 7.4): 3.87
ACD/KOC (pH 7.4): 91.72
Polar Surface Area: 141 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 56.5±5.0 dyne/cm
Molar Volume: 398.1±5.0 cm3

Click to predict properties on the Chemicalize site


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