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Search term: KPNSXQNKDQMBAW-WYDVDPGPSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-Amino-1-[(6aS,8R,9S,9aR)-9-hydroxy-2,2,4,4-tetraisopropyltetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2(1H)-pyrimidinone | C21H39N3O6Si2

4-Amino-1-[(6aS,8R,9S,9aR)-9-hydroxy-2,2,4,4-tetraisopropyltetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2(1H)-pyrimidinone

  • Molecular FormulaC21H39N3O6Si2
  • Average mass485.722 Da
  • Monoisotopic mass485.237732 Da
  • ChemSpider ID21509854

  • defined stereocentres - 1 of 4 defined stereocentres

More details:

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

2(1H)-Pyrimidinone, 4-amino-1-[(6aS,8R,9S,9aR)-tetrahydro-9-hydroxy-2,2,4,4-tetrakis(1-methylethyl)-6H-furo[3,2-f]-1,3,5,2,4-trioxadisilocin-8-yl]- [ACD/Index Name]
4-Amino-1-[(6aS,8R,9S,9aR)-9-hydroxy-2,2,4,4-tetraisopropyltetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-1-[(6aS,8R,9S,9aR)-9-hydroxy-2,2,4,4-tetraisopropyltetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-[(6aS,8R,9S,9aR)-9-hydroxy-2,2,4,4-tétraisopropyltétrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
3-[(8S,1R,9R,10R)-9-hydroxy-4,4,6,6-tetrakis(methylethyl)-3,5,7,11-tetraoxa-4,6-disilabicyclo[6.3.0]undec-10-yl]-6-amino-3-hydropyrimidin-2-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 517.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 90.9±6.0 kJ/mol
Flash Point: 266.9±32.9 °C
Index of Refraction: 1.554
Molar Refractivity: 124.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 116 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 33.7±7.0 dyne/cm
Molar Volume: 389.1±7.0 cm3

Click to predict properties on the Chemicalize site


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