ChemSpider 2D Image | 1-(2-Deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-4-methyl-1H-indole | C14H18NO6P

1-(2-Deoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)-4-methyl-1H-indole

  • Molecular FormulaC14H18NO6P
  • Average mass327.270 Da
  • Monoisotopic mass327.087158 Da
  • ChemSpider ID25057511

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-(2-Deoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)-4-methyl-1H-indole [ACD/IUPAC Name]
1-(2-Desoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)-4-methyl-1H-indol [German] [ACD/IUPAC Name]
1-(2-Désoxy-5-O-phosphono-β-D-érythro-pentofuranosyl)-4-méthyl-1H-indole [French] [ACD/IUPAC Name]
1H-Indole, 1-(2-deoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)-4-methyl- [ACD/Index Name]
[(2R,3S,5R)-3-hydroxy-5-(4-methylindol-1-yl)oxolan-2-yl]methoxyphosphonic acid
{[(2R,3S,5R)-3-hydroxy-5-(4-methyl-1H-indol-1-yl)oxolan-2-yl]methoxy}phosphonic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 625.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.4±3.0 kJ/mol
Flash Point: 332.2±34.3 °C
Index of Refraction: 1.666
Molar Refractivity: 76.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.35
ACD/LogD (pH 5.5): -2.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 111 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 68.9±7.0 dyne/cm
Molar Volume: 204.9±7.0 cm3

Click to predict properties on the Chemicalize site


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