ChemSpider 2D Image | [(1R,2S,4R)-4-{[5-({5-Chloro-4-[(R)-hydroxy(2-methoxyphenyl)methyl]-2-thienyl}carbonyl)-4-pyrimidinyl]amino}-2-hydroxycyclopentyl]methyl sulfamate | C23H25ClN4O7S2

[(1R,2S,4R)-4-{[5-({5-Chloro-4-[(R)-hydroxy(2-methoxyphenyl)methyl]-2-thienyl}carbonyl)-4-pyrimidinyl]amino}-2-hydroxycyclopentyl]methyl sulfamate

  • Molecular FormulaC23H25ClN4O7S2
  • Average mass569.050 Da
  • Monoisotopic mass568.085327 Da
  • ChemSpider ID129114286

  • 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-({5-Chlor-4-[(R)-hydroxy(2-methoxyphenyl)methyl]-2-thienyl}carbonyl)-4-pyrimidinyl]amino}-2-hydroxycyclopentyl]methylsulfamat [German] [ACD/IUPAC Name]
[(1R,2S,4R)-4-{[5-({5-Chloro-4-[(R)-hydroxy(2-methoxyphenyl)methyl]-2-thienyl}carbonyl)-4-pyrimidinyl]amino}-2-hydroxycyclopentyl]methyl sulfamate [ACD/IUPAC Name]
Sulfamate de [(1R,2S,4R)-4-{[5-({5-chloro-4-[(R)-hydroxy(2-méthoxyphényl)méthyl]-2-thiényl}carbonyl)-4-pyrimidinyl]amino}-2-hydroxycyclopentyl]méthyle [French] [ACD/IUPAC Name]
Sulfamic acid, [(1R,2S,4R)-4-[[5-[[5-chloro-4-[(R)-hydroxy(2-methoxyphenyl)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: 1.5±0.1 g/cm3
Boiling Point: 845.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.8±3.0 kJ/mol
Flash Point: 465.3±37.1 °C
Index of Refraction: 1.662
Molar Refractivity: 137.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 42.99
ACD/KOC (pH 5.5): 512.16
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 42.97
ACD/KOC (pH 7.4): 511.99
Polar Surface Area: 211 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 74.0±3.0 dyne/cm
Molar Volume: 370.4±3.0 cm3

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