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Search term: AGIKMOLYLSSZIM-ZESCBINXSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | [(1R,2R,3S,4R)-4-({5-[(1-Benzyl-1H-pyrazol-3-yl)carbonyl]-4-pyrimidinyl}amino)-2,3-dihydroxycyclopentyl]methyl sulfamate | C21H24N6O6S

[(1R,2R,3S,4R)-4-({5-[(1-Benzyl-1H-pyrazol-3-yl)carbonyl]-4-pyrimidinyl}amino)-2,3-dihydroxycyclopentyl]methyl sulfamate

  • Molecular FormulaC21H24N6O6S
  • Average mass488.517 Da
  • Monoisotopic mass488.147797 Da
  • ChemSpider ID129225414

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(1R,2R,3S,4R)-4-({5-[(1-Benzyl-1H-pyrazol-3-yl)carbonyl]-4-pyrimidinyl}amino)-2,3-dihydroxycyclopentyl]methyl sulfamate [ACD/IUPAC Name]
[(1R,2R,3S,4R)-4-({5-[(1-Benzyl-1H-pyrazol-3-yl)carbonyl]-4-pyrimidinyl}amino)-2,3-dihydroxycyclopentyl]methylsulfamat [German] [ACD/IUPAC Name]
Sulfamate de [(1R,2R,3S,4R)-4-({5-[(1-benzyl-1H-pyrazol-3-yl)carbonyl]-4-pyrimidinyl}amino)-2,3-dihydroxycyclopentyl]méthyle [French] [ACD/IUPAC Name]
Sulfamic acid, [(1R,2R,3S,4R)-2,3-dihydroxy-4-[[5-[[1-(phenylmethyl)-1H-pyrazol-3-yl]carbonyl]-4-pyrimidinyl]amino]cyclopentyl]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: 805.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.8±3.0 kJ/mol
Flash Point: 440.8±37.1 °C
Index of Refraction: 1.735
Molar Refractivity: 120.9±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 0.23
ACD/LogD (pH 5.5): 0.69
ACD/BCF (pH 5.5): 1.98
ACD/KOC (pH 5.5): 56.63
ACD/LogD (pH 7.4): 0.69
ACD/BCF (pH 7.4): 1.97
ACD/KOC (pH 7.4): 56.42
Polar Surface Area: 191 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 74.0±7.0 dyne/cm
Molar Volume: 301.2±7.0 cm3

Click to predict properties on the Chemicalize site


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