ChemSpider 2D Image | Dalpanin | C26H30O12

Dalpanin

  • Molecular FormulaC26H30O12
  • Average mass534.509 Da
  • Monoisotopic mass534.173706 Da
  • ChemSpider ID391109

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-1-{5,7-dihydroxy-3-[6-hydroxy-2-(2-hydroxy-2-propanyl)-2,3-dihydro-1-benzofuran-5-yl]-4-oxo-3,4-dihydro-2H-chromen-8-yl}-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-{5,7-dihydroxy-3-[6-hydroxy-2-(2-hydroxy-2-propanyl)-2,3-dihydro-1-benzofuran-5-yl]-4-oxo-3,4-dihydro-2H-chromen-8-yl}-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-{5,7-dihydroxy-3-[6-hydroxy-2-(2-hydroxy-2-propanyl)-2,3-dihydro-1-benzofuran-5-yl]-4-oxo-3,4-dihydro-2H-chromén-8-yl}-D-glucitol [French] [ACD/IUPAC Name]
Dalpanin
D-Glucitol, 1,5-anhydro-1-C-[3-[2,3-dihydro-6-hydroxy-2-(1-hydroxy-1-methylethyl)-5-benzofuranyl]-3,4-dihydro-5,7-dihydroxy-4-oxo-2H-1-benzopyran-8-yl]-, (1S)- [ACD/Index Name]
37376-13-9 [RN]
4H-1-BENZOPYRAN-4-ONE,3-[2,3-DIHYDRO-6-HYDROXY-2-(1-HYDROXY-1-METHYLETHYL)-5-BENZOFURANYL]-8-B-D-GLUCOPYRANOSYL-2,3-DIHYDRO-5,7-DIHYDROXY-(9CI)

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

C10416 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 801.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.2±3.0 kJ/mol
Flash Point: 269.8±27.8 °C
Index of Refraction: 1.699
Molar Refractivity: 128.4±0.3 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 9.89
ACD/KOC (pH 5.5): 177.01
ACD/LogD (pH 7.4): 0.92
ACD/BCF (pH 7.4): 1.99
ACD/KOC (pH 7.4): 35.57
Polar Surface Area: 207 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 89.2±3.0 dyne/cm
Molar Volume: 332.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement