Found 59 results

Search term: MF = 'C_{21}H_{36}O_{7}'
ChemSpider 2D Image | citrusoside A | C21H36O7

citrusoside A

  • Molecular FormulaC21H36O7
  • Average mass400.506 Da
  • Monoisotopic mass400.246094 Da
  • ChemSpider ID26391282

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

6-O-[(2E,5R)-5,9-Diméthyl-2,8-decadienoyl]-β-D-glucopyranoside d'isopropyle [French] [ACD/IUPAC Name]
citrusoside A
Isopropyl 6-O-[(2E,5R)-5,9-dimethyl-2,8-decadienoyl]-β-D-glucopyranoside [ACD/IUPAC Name]
Isopropyl-6-O-[(2E,5R)-5,9-dimethyl-2,8-decadienoyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside, 1-methylethyl 6-O-[(2E,5R)-5,9-dimethyl-1-oxo-2,8-decadien-1-yl]- [ACD/Index Name]
1-O-isopropyl-6-O-(5'',9''-dimethyl-2'',8''-decadienoyl)-β-D-glucopyranoside

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

Density: 1.1±0.1 g/cm3
Boiling Point: 547.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 95.1±6.0 kJ/mol
Flash Point: 181.6±23.6 °C
Index of Refraction: 1.516
Molar Refractivity: 106.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.51
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 736.00
ACD/KOC (pH 5.5): 3923.86
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 736.00
ACD/KOC (pH 7.4): 3923.83
Polar Surface Area: 105 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 45.4±5.0 dyne/cm
Molar Volume: 352.9±5.0 cm3

Click to predict properties on the Chemicalize site


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