ChemSpider 2D Image | (S)-[(3S,4R)-4-(1,3-Benzodioxol-5-ylmethyl)-2-oxotetrahydro-3-furanyl](3,4,5-trimethoxyphenyl)methyl beta-D-galactopyranoside | C28H34O13

(S)-[(3S,4R)-4-(1,3-Benzodioxol-5-ylmethyl)-2-oxotetrahydro-3-furanyl](3,4,5-trimethoxyphenyl)methyl β-D-galactopyranoside

  • Molecular FormulaC28H34O13
  • Average mass578.562 Da
  • Monoisotopic mass578.199951 Da
  • ChemSpider ID114779291

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(S)-[(3S,4R)-4-(1,3-Benzodioxol-5-ylmethyl)-2-oxotetrahydro-3-furanyl](3,4,5-trimethoxyphenyl)methyl β-D-galactopyranoside [ACD/IUPAC Name]
(S)-[(3S,4R)-4-(1,3-Benzodioxol-5-ylmethyl)-2-oxotetrahydro-3-furanyl](3,4,5-trimethoxyphenyl)methyl-β-D-galactopyranosid [German] [ACD/IUPAC Name]
2(3H)-Furanone, 4-(1,3-benzodioxol-5-ylmethyl)-3-[(S)-(β-D-galactopyranosyloxy)(3,4,5-trimethoxyphenyl)methyl]dihydro-, (3S,4R)- [ACD/Index Name]
β-D-Galactopyranoside de (S)-[(3S,4R)-4-(1,3-benzodioxol-5-ylméthyl)-2-oxotétrahydro-3-furanyl](3,4,5-triméthoxyphényl)méthyle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 785.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.9±3.0 kJ/mol
Flash Point: 257.7±26.4 °C
Index of Refraction: 1.633
Molar Refractivity: 139.4±0.4 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 0.01
ACD/LogD (pH 5.5): -0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 20.46
ACD/LogD (pH 7.4): -0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.46
Polar Surface Area: 172 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 72.8±5.0 dyne/cm
Molar Volume: 390.6±5.0 cm3

Click to predict properties on the Chemicalize site


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