Found 117 results

Search term: MF = 'C_{22}H_{26}O_{11}'
ChemSpider 2D Image | (1S,4aR,5S,7aS)-1-(beta-D-Glucopyranosyloxy)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-5-yl 4-hydroxybenzoate | C22H26O11

(1S,4aR,5S,7aS)-1-(β-D-Glucopyranosyloxy)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-5-yl 4-hydroxybenzoate

  • Molecular FormulaC22H26O11
  • Average mass466.435 Da
  • Monoisotopic mass466.147522 Da
  • ChemSpider ID28424249

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1S,4aR,5S,7aS)-1-(β-D-Glucopyranosyloxy)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-5-yl 4-hydroxybenzoate [ACD/IUPAC Name]
(1S,4aR,5S,7aS)-1-(β-D-Glucopyranosyloxy)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-5-yl-4-hydroxybenzoat [German] [ACD/IUPAC Name]
4-Hydroxybenzoate de (1S,4aR,5S,7aS)-1-(β-D-glucopyranosyloxy)-7-(hydroxyméthyl)-1,4a,5,7a-tétrahydrocyclopenta[c]pyran-5-yle [French] [ACD/IUPAC Name]
Benzoic acid, 4-hydroxy-, (1S,4aR,5S,7aS)-1-(β-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)cyclopenta[c]pyran-5-yl ester [ACD/Index Name]
[1016987-87-3] [RN]
1016987-87-3 [RN]
6-O-p-Hydroxybenzoylaucubin
MFCD20260345

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

Density: 1.6±0.1 g/cm3
Boiling Point: 762.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.6±3.0 kJ/mol
Flash Point: 265.3±26.4 °C
Index of Refraction: 1.681
Molar Refractivity: 110.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -0.77
ACD/LogD (pH 5.5): -0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.93
ACD/LogD (pH 7.4): -0.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.41
Polar Surface Area: 175 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 88.9±5.0 dyne/cm
Molar Volume: 291.9±5.0 cm3

Click to predict properties on the Chemicalize site


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