ChemSpider 2D Image | [(1R,2S,4R)-4-{[5-({4-[(8R)-2,3-Dimethyl-5,6-dihydro-8H-imidazo[2,1-c][1,4]oxazin-8-yl]-5-methyl-2-thienyl}carbonyl)-4-pyrimidinyl]amino}-2-hydroxycyclopentyl]methyl sulfamate | C24H30N6O6S2

[(1R,2S,4R)-4-{[5-({4-[(8R)-2,3-Dimethyl-5,6-dihydro-8H-imidazo[2,1-c][1,4]oxazin-8-yl]-5-methyl-2-thienyl}carbonyl)-4-pyrimidinyl]amino}-2-hydroxycyclopentyl]methyl sulfamate

  • Molecular FormulaC24H30N6O6S2
  • Average mass562.662 Da
  • Monoisotopic mass562.166809 Da
  • ChemSpider ID129114542

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(1R,2S,4R)-4-{[5-({4-[(8R)-2,3-Dimethyl-5,6-dihydro-8H-imidazo[2,1-c][1,4]oxazin-8-yl]-5-methyl-2-thienyl}carbonyl)-4-pyrimidinyl]amino}-2-hydroxycyclopentyl]methyl sulfamate [ACD/IUPAC Name]
[(1R,2S,4R)-4-{[5-({4-[(8R)-2,3-Dimethyl-5,6-dihydro-8H-imidazo[2,1-c][1,4]oxazin-8-yl]-5-methyl-2-thienyl}carbonyl)-4-pyrimidinyl]amino}-2-hydroxycyclopentyl]methylsulfamat [German] [ACD/IUPAC Name]
Sulfamate de [(1R,2S,4R)-4-{[5-({4-[(8R)-2,3-diméthyl-5,6-dihydro-8H-imidazo[2,1-c][1,4]oxazin-8-yl]-5-méthyl-2-thiényl}carbonyl)-4-pyrimidinyl]amino}-2-hydroxycyclopentyl]méthyle [French] [ACD/IUPAC Name]
Sulfamic acid, [(1R,2S,4R)-4-[[5-[[4-[(8R)-5,6-dihydro-2,3-dimethyl-8H-imidazo[2,1-c][1,4]oxazin-8-yl]-5-methyl-2-thienyl]carbonyl]-4-pyrimidinyl]amino]-2-hydroxycyclopentyl]methyl ester [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 898.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.8±3.0 kJ/mol
Flash Point: 496.9±37.1 °C
Index of Refraction: 1.755
Molar Refractivity: 140.0±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.43
ACD/LogD (pH 5.5): 0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.93
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 11.91
ACD/KOC (pH 7.4): 190.12
Polar Surface Area: 208 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 68.9±7.0 dyne/cm
Molar Volume: 341.9±7.0 cm3

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