ChemSpider 2D Image | 1-[(3R,4S)-1-(2-Amino-6-methoxy-4-pyrimidinyl)-4-hydroxy-3-pyrrolidinyl]-N,N-dimethylmethanesulfonamide | C12H21N5O4S

1-[(3R,4S)-1-(2-Amino-6-methoxy-4-pyrimidinyl)-4-hydroxy-3-pyrrolidinyl]-N,N-dimethylmethanesulfonamide

  • Molecular FormulaC12H21N5O4S
  • Average mass331.391 Da
  • Monoisotopic mass331.131439 Da
  • ChemSpider ID70967102

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-[(3R,4S)-1-(2-Amino-6-methoxy-4-pyrimidinyl)-4-hydroxy-3-pyrrolidinyl]-N,N-dimethylmethanesulfonamide [ACD/IUPAC Name]
1-[(3R,4S)-1-(2-Amino-6-méthoxy-4-pyrimidinyl)-4-hydroxy-3-pyrrolidinyl]-N,N-diméthylméthanesulfonamide [French] [ACD/IUPAC Name]
1-[(3R,4S)-1-(2-Amino-6-methoxy-4-pyrimidinyl)-4-hydroxy-3-pyrrolidinyl]-N,N-dimethylmethansulfonamid [German] [ACD/IUPAC Name]
3-Pyrrolidinemethanesulfonamide, 1-(2-amino-6-methoxy-4-pyrimidinyl)-4-hydroxy-N,N-dimethyl-, (3R,4S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 616.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.2±3.0 kJ/mol
Flash Point: 326.9±34.3 °C
Index of Refraction: 1.600
Molar Refractivity: 80.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.44
ACD/LogD (pH 5.5): -0.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.77
ACD/LogD (pH 7.4): -0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.38
Polar Surface Area: 130 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 67.9±3.0 dyne/cm
Molar Volume: 236.0±3.0 cm3

Click to predict properties on the Chemicalize site


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