ChemSpider 2D Image | 1,5-Anhydro-3-(3-azaspiro[5.5]undec-9-ylamino)-2-O-(cyclobutylmethyl)-3,4-dideoxy-D-threo-pentitol | C20H36N2O2

1,5-Anhydro-3-(3-azaspiro[5.5]undec-9-ylamino)-2-O-(cyclobutylmethyl)-3,4-dideoxy-D-threo-pentitol

  • Molecular FormulaC20H36N2O2
  • Average mass336.512 Da
  • Monoisotopic mass336.277679 Da
  • ChemSpider ID35044963

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,5-Anhydro-3-(3-azaspiro[5.5]undec-9-ylamino)-2-O-(cyclobutylmethyl)-3,4-dideoxy-D-threo-pentitol [ACD/IUPAC Name]
1,5-Anhydro-3-(3-azaspiro[5.5]undec-9-ylamino)-2-O-(cyclobutylmethyl)-3,4-didesoxy-D-threo-pentitol [German] [ACD/IUPAC Name]
1,5-Anhydro-3-(3-azaspiro[5.5]undéc-9-ylamino)-2-O-(cyclobutylméthyl)-3,4-didésoxy-D-thréo-pentitol [French] [ACD/IUPAC Name]
D-threo-Pentitol, 1,5-anhydro-3-(3-azaspiro[5.5]undec-9-ylamino)-2-O-(cyclobutylmethyl)-3,4-dideoxy- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 472.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.6±3.0 kJ/mol
Flash Point: 204.4±18.2 °C
Index of Refraction: 1.534
Molar Refractivity: 97.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.53
ACD/LogD (pH 5.5): -0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 43 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 42.6±5.0 dyne/cm
Molar Volume: 312.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement