ChemSpider 2D Image | (3S)-6-[2-(β-D-Glucopyranosyloxy)ethyl]-2,3-dihydro-3-hydroxy-2,2,5,7-tetramethyl-1H-inden-1-one | C21H30O8

(3S)-6-[2-(β-D-Glucopyranosyloxy)ethyl]-2,3-dihydro-3-hydroxy-2,2,5,7-tetramethyl-1H-inden-1-one

  • Molecular FormulaC21H30O8
  • Average mass410.458 Da
  • Monoisotopic mass410.194061 Da
  • ChemSpider ID28425575

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3S)-6-[2-(β-D-Glucopyranosyloxy)ethyl]-2,3-dihydro-3-hydroxy-2,2,5,7-tetramethyl-1H-inden-1-one
1H-Inden-1-one, 6-[2-(β-D-glucopyranosyloxy)ethyl]-2,3-dihydro-3-hydroxy-2,2,5,7-tetramethyl-, (3S)- [ACD/Index Name]
2-[(1S)-1-Hydroxy-2,2,4,6-tetramethyl-3-oxo-2,3-dihydro-1H-inden-5-yl]ethyl β-D-glucopyranoside [ACD/IUPAC Name]
2-[(1S)-1-Hydroxy-2,2,4,6-tetramethyl-3-oxo-2,3-dihydro-1H-inden-5-yl]ethyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
35943-38-5 [RN]
β-D-Glucopyranoside de 2-[(1S)-1-hydroxy-2,2,4,6-tétraméthyl-3-oxo-2,3-dihydro-1H-indén-5-yl]éthyle [French] [ACD/IUPAC Name]
(3S)-3-hydroxy-2,2,5,7-tetramethyl-6-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3H-inden-1-one
[35943-38-5] [RN]
MFCD20274804
Pteroside D

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

Density: 1.4±0.1 g/cm3
Boiling Point: 655.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.4±3.0 kJ/mol
Flash Point: 227.9±25.0 °C
Index of Refraction: 1.615
Molar Refractivity: 103.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.08
ACD/LogD (pH 5.5): 0.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 23.96
ACD/LogD (pH 7.4): 0.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 23.96
Polar Surface Area: 137 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 69.1±5.0 dyne/cm
Molar Volume: 296.0±5.0 cm3

Click to predict properties on the Chemicalize site


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