Found 1 result

Search term: VWYRWNYOVVVFRV-NKBRHBOISA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (1S,2R,3R,5R)-3-(Hydroxymethyl)-5-[(5-methoxy-4-quinazolinyl)amino]-1,2-cyclopentanediol | C15H19N3O4

(1S,2R,3R,5R)-3-(Hydroxymethyl)-5-[(5-methoxy-4-quinazolinyl)amino]-1,2-cyclopentanediol

  • Molecular FormulaC15H19N3O4
  • Average mass305.329 Da
  • Monoisotopic mass305.137543 Da
  • ChemSpider ID59051683

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,2R,3R,5R)-3-(Hydroxymethyl)-5-[(5-methoxy-4-chinazolinyl)amino]-1,2-cyclopentandiol [German] [ACD/IUPAC Name]
(1S,2R,3R,5R)-3-(Hydroxymethyl)-5-[(5-methoxy-4-quinazolinyl)amino]-1,2-cyclopentanediol [ACD/IUPAC Name]
(1S,2R,3R,5R)-3-(Hydroxyméthyl)-5-[(5-méthoxy-4-quinazolinyl)amino]-1,2-cyclopentanediol [French] [ACD/IUPAC Name]
1,2-Cyclopentanediol, 3-(hydroxymethyl)-5-[(5-methoxy-4-quinazolinyl)amino]-, (1S,2R,3R,5R)- [ACD/Index Name]
(1s,2r,3r,5r)-3-(Hydroxymethyl)-5-((5-Methoxyquinazolin-4-Yl)amino)cyclopentane-1,2-Diol
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 555.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.0±3.0 kJ/mol
Flash Point: 289.5±30.1 °C
Index of Refraction: 1.710
Molar Refractivity: 82.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.33
ACD/LogD (pH 5.5): -0.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.69
ACD/LogD (pH 7.4): 0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.61
Polar Surface Area: 108 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 73.4±3.0 dyne/cm
Molar Volume: 210.8±3.0 cm3

Click to predict properties on the Chemicalize site


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