ChemSpider 2D Image | N-[(2E)-3-Chloro-2-buten-1-yl]-9-pentofuranosyl-9H-purin-6-amine | C14H18ClN5O4

N-[(2E)-3-Chloro-2-buten-1-yl]-9-pentofuranosyl-9H-purin-6-amine

  • Molecular FormulaC14H18ClN5O4
  • Average mass355.777 Da
  • Monoisotopic mass355.104736 Da
  • ChemSpider ID32772968

  • Double-bond stereo - Double-bond stereo

More details:

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

9H-Purin-6-amine, N-[(2E)-3-chloro-2-buten-1-yl]-9-pentofuranosyl- [ACD/Index Name]
N-[(2E)-3-Chlor-2-buten-1-yl]-9-pentofuranosyl-9H-purin-6-amin [German] [ACD/IUPAC Name]
N-[(2E)-3-Chloro-2-buten-1-yl]-9-pentofuranosyl-9H-purin-6-amine [ACD/IUPAC Name]
N-[(2E)-3-Chloro-2-butén-1-yl]-9-pentofuranosyl-9H-purin-6-amine [French] [ACD/IUPAC Name]
30561-97-8 [RN]
34366-97-7 [RN]
Chlor-IPA

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

Density: 1.7±0.1 g/cm3
Boiling Point: 689.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.2±3.0 kJ/mol
Flash Point: 370.9±34.3 °C
Index of Refraction: 1.737
Molar Refractivity: 84.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.25
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 4.64
ACD/KOC (pH 5.5): 104.30
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 4.65
ACD/KOC (pH 7.4): 104.59
Polar Surface Area: 126 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 68.6±7.0 dyne/cm
Molar Volume: 208.9±7.0 cm3

Click to predict properties on the Chemicalize site


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