ChemSpider 2D Image | 10-(beta-D-Glucopyranosyloxy)-8-methoxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid | C23H21NO13

10-(β-D-Glucopyranosyloxy)-8-methoxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid

  • Molecular FormulaC23H21NO13
  • Average mass519.412 Da
  • Monoisotopic mass519.101318 Da
  • ChemSpider ID113956
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

10-(β-D-Glucopyranosyloxy)-8-methoxy-6-nitrophenanthro[3,4-d][1,3]dioxol-5-carbonsäure [German] [ACD/IUPAC Name]
10-(β-D-Glucopyranosyloxy)-8-methoxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid [ACD/IUPAC Name]
Acide 10-(β-D-glucopyranosyloxy)-8-méthoxy-6-nitrophénanthro[3,4-d][1,3]dioxole-5-carboxylique [French] [ACD/IUPAC Name]
Phenanthro[3,4-d]-1,3-dioxole-5-carboxylic acid, 10-(β-D-glucopyranosyloxy)-8-methoxy-6-nitro- [ACD/Index Name]
84014-70-0 [RN]
Aristoloside
Phenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid, 10-(β-D-glucopyranosyloxy)-8-methoxy-6-nitro-

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 865.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.8±3.0 kJ/mol
Flash Point: 477.5±34.3 °C
Index of Refraction: 1.750
Molar Refractivity: 124.0±0.3 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 0.75
ACD/LogD (pH 5.5): -1.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 210 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 88.9±3.0 dyne/cm
Molar Volume: 304.3±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement