ChemSpider 2D Image | (5R,7R,8S,9S,10R)-7-(Hydroxymethyl)-3-(4-methoxyphenyl)-1,6-dioxa-2-azaspiro[4.5]dec-2-ene-8,9,10-triol | C15H19NO7

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

  • Molecular FormulaC15H19NO7
  • Average mass325.314 Da
  • Monoisotopic mass325.116150 Da
  • ChemSpider ID24643724
  • 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)-7-(Hydroxymethyl)-3-(4-methoxyphenyl)-1,6-dioxa-2-azaspiro[4.5]dec-2-en-8,9,10-triol [German] [ACD/IUPAC Name]
(5R,7R,8S,9S,10R)-7-(Hydroxymethyl)-3-(4-methoxyphenyl)-1,6-dioxa-2-azaspiro[4.5]dec-2-ene-8,9,10-triol [ACD/IUPAC Name]
(5R,7R,8S,9S,10R)-7-(Hydroxyméthyl)-3-(4-méthoxyphényl)-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, 7-(hydroxymethyl)-3-(4-methoxyphenyl)-, (5R,7R,8S,9S,10R)- [ACD/Index Name]
glucopyranosylidene-spiro-isoxazoline, 4a

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

Density: 1.6±0.1 g/cm3
Boiling Point: 565.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 295.7±32.9 °C
Index of Refraction: 1.647
Molar Refractivity: 75.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.74
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 4.98
ACD/KOC (pH 5.5): 109.80
ACD/LogD (pH 7.4): 1.22
ACD/BCF (pH 7.4): 4.98
ACD/KOC (pH 7.4): 109.80
Polar Surface Area: 121 Å2
Polarizability: 29.7±0.5 10-24cm3
Surface Tension: 60.9±7.0 dyne/cm
Molar Volume: 206.4±7.0 cm3

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