ChemSpider 2D Image | (3S,5R,7R,8S,9S,10R)-7-(Hydroxymethyl)-3-(4-methylphenyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol | C15H21NO6

(3S,5R,7R,8S,9S,10R)-7-(Hydroxymethyl)-3-(4-methylphenyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol

  • Molecular FormulaC15H21NO6
  • Average mass311.330 Da
  • Monoisotopic mass311.136902 Da
  • ChemSpider ID25059099

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3S,5R,7R,8S,9S,10R)-7-(Hydroxymethyl)-3-(4-methylphenyl)-1,6-dioxa-2-azaspiro[4.5]decan-8,9,10-triol [German] [ACD/IUPAC Name]
(3S,5R,7R,8S,9S,10R)-7-(Hydroxymethyl)-3-(4-methylphenyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol [ACD/IUPAC Name]
(3S,5R,7R,8S,9S,10R)-7-(Hydroxyméthyl)-3-(4-méthylphényl)-1,6-dioxa-2-azaspiro[4.5]décane-8,9,10-triol [French] [ACD/IUPAC Name]
1,6-Dioxa-2-azaspiro[4.5]decane-8,9,10-triol, 7-(hydroxymethyl)-3-(4-methylphenyl)-, (3S,5R,7R,8S,9S,10R)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 545.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.7±3.0 kJ/mol
Flash Point: 283.6±32.9 °C
Index of Refraction: 1.648
Molar Refractivity: 77.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 1.45
ACD/LogD (pH 5.5): 0.89
ACD/BCF (pH 5.5): 2.79
ACD/KOC (pH 5.5): 72.49
ACD/LogD (pH 7.4): 0.89
ACD/BCF (pH 7.4): 2.79
ACD/KOC (pH 7.4): 72.60
Polar Surface Area: 111 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 74.8±5.0 dyne/cm
Molar Volume: 213.0±5.0 cm3

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