ChemSpider 2D Image | (2E)-3-[(2R,3S)-2-(3,4-Dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]-2-propen-1-yl beta-D-glucopyranoside | C27H34O11

(2E)-3-[(2R,3S)-2-(3,4-Dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]-2-propen-1-yl β-D-glucopyranoside

  • Molecular FormulaC27H34O11
  • Average mass534.552 Da
  • Monoisotopic mass534.210083 Da
  • ChemSpider ID28425477

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2E)-3-[(2R,3S)-2-(3,4-Dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]-2-propen-1-yl β-D-glucopyranoside [ACD/IUPAC Name]
(2E)-3-[(2R,3S)-2-(3,4-Dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]-2-propen-1-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (2E)-3-[(2R,3S)-2-(3,4-diméthoxyphényl)-3-(hydroxyméthyl)-7-méthoxy-2,3-dihydro-1-benzofuran-5-yl]-2-propén-1-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (2E)-3-[(2R,3S)-2-(3,4-dimethoxyphenyl)-2,3-dihydro-3-(hydroxymethyl)-7-methoxy-5-benzofuranyl]-2-propen-1-yl [ACD/Index Name]
(2R,3R,4S,5S,6R)-2-[(E)-3-[(2R,3S)-2-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
[175556-08-8] [RN]
175556-08-8 [RN]
Longifloroside A
MFCD20261023

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

Density: 1.4±0.1 g/cm3
Boiling Point: 738.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.1±3.0 kJ/mol
Flash Point: 400.5±32.9 °C
Index of Refraction: 1.638
Molar Refractivity: 134.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 0.37
ACD/LogD (pH 5.5): 0.43
ACD/BCF (pH 5.5): 1.25
ACD/KOC (pH 5.5): 40.82
ACD/LogD (pH 7.4): 0.43
ACD/BCF (pH 7.4): 1.25
ACD/KOC (pH 7.4): 40.82
Polar Surface Area: 157 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 72.0±5.0 dyne/cm
Molar Volume: 374.6±5.0 cm3

Click to predict properties on the Chemicalize site


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