ChemSpider 2D Image | Pteroside A | C21H30O8

Pteroside A

  • Molecular FormulaC21H30O8
  • Average mass410.458 Da
  • Monoisotopic mass410.194061 Da
  • ChemSpider ID21781986

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

Pteroside A
1H-Inden-1-one, 6-[2-(β-D-glucopyranosyloxy)ethyl]-2,3-dihydro-2-(hydroxymethyl)-2,5,7-trimethyl-, (2S)- [ACD/Index Name]
2-[(2S)-2-(Hydroxymethyl)-2,4,6-trimethyl-3-oxo-2,3-dihydro-1H-inden-5-yl]ethyl β-D-glucopyranoside [ACD/IUPAC Name]
2-[(2S)-2-(Hydroxymethyl)-2,4,6-trimethyl-3-oxo-2,3-dihydro-1H-inden-5-yl]ethyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
35910-15-7 [RN]
β-D-Glucopyranoside de 2-[(2S)-2-(hydroxyméthyl)-2,4,6-triméthyl-3-oxo-2,3-dihydro-1H-indén-5-yl]éthyle [French] [ACD/IUPAC Name]
PTEROSINA

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

Density: 1.4±0.1 g/cm3
Boiling Point: 662.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.4±3.0 kJ/mol
Flash Point: 230.9±25.0 °C
Index of Refraction: 1.616
Molar Refractivity: 103.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.18
ACD/LogD (pH 5.5): 0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 33.59
ACD/LogD (pH 7.4): 0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 33.59
Polar Surface Area: 137 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 70.4±5.0 dyne/cm
Molar Volume: 295.4±5.0 cm3

Click to predict properties on the Chemicalize site


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