ChemSpider 2D Image | (1R,2R)-1-[(7R,8R)-7-(Acetoxymethyl)-5-oxo-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-8-yl]-1,2-propanediyl diacetate | C20H23NO9

(1R,2R)-1-[(7R,8R)-7-(Acetoxymethyl)-5-oxo-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-8-yl]-1,2-propanediyl diacetate

  • Molecular FormulaC20H23NO9
  • Average mass421.398 Da
  • Monoisotopic mass421.137268 Da
  • ChemSpider ID30659043

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2R)-1-[(7R,8R)-7-(Acetoxymethyl)-5-oxo-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isochinolin-8-yl]-1,2-propandiyl-diacetat [German] [ACD/IUPAC Name]
(1R,2R)-1-[(7R,8R)-7-(Acetoxymethyl)-5-oxo-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-8-yl]-1,2-propanediyl diacetate [ACD/IUPAC Name]
1,3-Dioxolo[4,5-g]isoquinolin-5(6H)-one, 7-[(acetyloxy)methyl]-8-[(1R,2R)-1,2-bis(acetyloxy)propyl]-7,8-dihydro-, (7R,8R)- [ACD/Index Name]
Diacétate de (1R,2R)-1-[(7R,8R)-7-(acétoxyméthyl)-5-oxo-5,6,7,8-tétrahydro[1,3]dioxolo[4,5-g]isoquinoléin-8-yl]-1,2-propanediyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 592.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.3±3.0 kJ/mol
Flash Point: 311.9±30.1 °C
Index of Refraction: 1.530
Molar Refractivity: 99.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 0.80
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 9.12
ACD/KOC (pH 5.5): 169.31
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 9.12
ACD/KOC (pH 7.4): 169.31
Polar Surface Area: 126 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 323.0±3.0 cm3

Click to predict properties on the Chemicalize site


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