ChemSpider 2D Image | (5R,7R,8S,9S,10R)-3-(1,3-Benzodioxol-5-yl)-7-(hydroxymethyl)-1,6-dioxa-2-azaspiro[4.5]dec-2-ene-8,9,10-triol | C15H17NO8

(5R,7R,8S,9S,10R)-3-(1,3-Benzodioxol-5-yl)-7-(hydroxymethyl)-1,6-dioxa-2-azaspiro[4.5]dec-2-ene-8,9,10-triol

  • Molecular FormulaC15H17NO8
  • Average mass339.297 Da
  • Monoisotopic mass339.095428 Da
  • ChemSpider ID58919615

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(5R,7R,8S,9S,10R)-3-(1,3-Benzodioxol-5-yl)-7-(hydroxymethyl)-1,6-dioxa-2-azaspiro[4.5]dec-2-en-8,9,10-triol [German] [ACD/IUPAC Name]
(5R,7R,8S,9S,10R)-3-(1,3-Benzodioxol-5-yl)-7-(hydroxymethyl)-1,6-dioxa-2-azaspiro[4.5]dec-2-ene-8,9,10-triol [ACD/IUPAC Name]
(5R,7R,8S,9S,10R)-3-(1,3-Benzodioxol-5-yl)-7-(hydroxyméthyl)-1,6-dioxa-2-azaspiro[4.5]déc-2-ène-8,9,10-triol [French] [ACD/IUPAC Name]
1,6-Dioxa-2-azaspiro[4.5]dec-2-ene-8,9,10-triol, 3-(1,3-benzodioxol-5-yl)-7-(hydroxymethyl)-, (5R,7R,8S,9S,10R)- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 591.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.8±3.0 kJ/mol
Flash Point: 311.7±32.9 °C
Index of Refraction: 1.731
Molar Refractivity: 74.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.69
ACD/LogD (pH 5.5): 1.00
ACD/BCF (pH 5.5): 3.36
ACD/KOC (pH 5.5): 82.80
ACD/LogD (pH 7.4): 1.00
ACD/BCF (pH 7.4): 3.36
ACD/KOC (pH 7.4): 82.80
Polar Surface Area: 130 Å2
Polarizability: 29.3±0.5 10-24cm3
Surface Tension: 76.8±7.0 dyne/cm
Molar Volume: 185.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement