ChemSpider 2D Image | (3S,5R,7R,8S,9S,10R)-7-(Hydroxymethyl)-3-(2-naphthyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol | C18H21NO6

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

  • Molecular FormulaC18H21NO6
  • Average mass347.362 Da
  • Monoisotopic mass347.136902 Da
  • ChemSpider ID25058635

  • 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-(2-naphthyl)-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-(2-naphthyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol [ACD/IUPAC Name]
(3S,5R,7R,8S,9S,10R)-7-(Hydroxyméthyl)-3-(2-naphtyl)-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-(2-naphthalenyl)-, (3S,5R,7R,8S,9S,10R)- [ACD/Index Name]
(3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(naphthalen-2-yl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol

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

Density: 1.5±0.1 g/cm3
Boiling Point: 615.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 326.2±34.3 °C
Index of Refraction: 1.714
Molar Refractivity: 90.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 2.22
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 8.24
ACD/KOC (pH 5.5): 157.46
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 8.25
ACD/KOC (pH 7.4): 157.62
Polar Surface Area: 111 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 82.0±5.0 dyne/cm
Molar Volume: 230.4±5.0 cm3

Click to predict properties on the Chemicalize site


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