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Search term: RHLCZGAAPDLDIE-IFBXMWMOSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (1S,2R,3S,4R)-4-(4-Amino-1H-imidazo[4,5-c]pyridin-1-yl)-2,3-dihydroxycyclopentanecarboxamide | C12H15N5O3

(1S,2R,3S,4R)-4-(4-Amino-1H-imidazo[4,5-c]pyridin-1-yl)-2,3-dihydroxycyclopentanecarboxamide

  • Molecular FormulaC12H15N5O3
  • Average mass277.279 Da
  • Monoisotopic mass277.117493 Da
  • ChemSpider ID24643081

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1S,2R,3S,4R)-4-(4-Amino-1H-imidazo[4,5-c]pyridin-1-yl)-2,3-dihydroxycyclopentancarboxamid [German] [ACD/IUPAC Name]
(1S,2R,3S,4R)-4-(4-Amino-1H-imidazo[4,5-c]pyridin-1-yl)-2,3-dihydroxycyclopentanecarboxamide [ACD/IUPAC Name]
(1S,2R,3S,4R)-4-(4-Amino-1H-imidazo[4,5-c]pyridin-1-yl)-2,3-dihydroxycyclopentanecarboxamide [French] [ACD/IUPAC Name]
Cyclopentanecarboxamide, 4-(4-amino-1H-imidazo[4,5-c]pyridin-1-yl)-2,3-dihydroxy-, (1S,2R,3S,4R)- [ACD/Index Name]
4-(4-Amino-imidazo[4,5-c]pyridin-1-yl)-2,3-dihydroxy-cyclopentanecarboxylic acid amide

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

Density: 1.9±0.1 g/cm3
Boiling Point: 694.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.8±3.0 kJ/mol
Flash Point: 373.7±34.3 °C
Index of Refraction: 1.877
Molar Refractivity: 66.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -1.06
ACD/LogD (pH 5.5): -3.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.16
Polar Surface Area: 140 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 97.3±7.0 dyne/cm
Molar Volume: 145.9±7.0 cm3

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