ChemSpider 2D Image | (2S)-2-Amino-5-[(3S,4S)-3-(4-amino-2-oxo-1(2H)-pyrimidinyl)-4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undec-9-yl]-5-oxopentanamide | C19H30N6O5

(2S)-2-Amino-5-[(3S,4S)-3-(4-amino-2-oxo-1(2H)-pyrimidinyl)-4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undec-9-yl]-5-oxopentanamide

  • Molecular FormulaC19H30N6O5
  • Average mass422.479 Da
  • Monoisotopic mass422.227783 Da
  • ChemSpider ID68647719

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S)-2-Amino-5-[(3S,4S)-3-(4-amino-2-oxo-1(2H)-pyrimidinyl)-4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undec-9-yl]-5-oxopentanamid [German] [ACD/IUPAC Name]
(2S)-2-Amino-5-[(3S,4S)-3-(4-amino-2-oxo-1(2H)-pyrimidinyl)-4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undec-9-yl]-5-oxopentanamide [ACD/IUPAC Name]
(2S)-2-Amino-5-[(3S,4S)-3-(4-amino-2-oxo-1(2H)-pyrimidinyl)-4-hydroxy-4-méthyl-1-oxa-9-azaspiro[5.5]undéc-9-yl]-5-oxopentanamide [French] [ACD/IUPAC Name]
1-Oxa-9-azaspiro[5.5]undecane-9-pentanamide, α-amino-3-(4-amino-2-oxo-1(2H)-pyrimidinyl)-4-hydroxy-4-methyl-δ-oxo-, (αS,3S,4S)- [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: 743.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 123.8±6.0 kJ/mol
Flash Point: 403.7±35.7 °C
Index of Refraction: 1.688
Molar Refractivity: 104.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -2.90
ACD/LogD (pH 5.5): -3.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.14
Polar Surface Area: 178 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 70.8±7.0 dyne/cm
Molar Volume: 274.8±7.0 cm3

Click to predict properties on the Chemicalize site


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