ChemSpider 2D Image | 9-(5-O-{Hydroxy[(hydroxy{[(4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methyl-4-hexen-1-yl]oxy}phosphoryl)methyl]phosphoryl}-L-ribofuranosyl)-9H-purin-6-amine | C28H37N5O13P2

9-(5-O-{Hydroxy[(hydroxy{[(4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methyl-4-hexen-1-yl]oxy}phosphoryl)methyl]phosphoryl}-L-ribofuranosyl)-9H-purin-6-amine

  • Molecular FormulaC28H37N5O13P2
  • Average mass713.567 Da
  • Monoisotopic mass713.186279 Da
  • ChemSpider ID24674047

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 4 defined stereocentres

More details:

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

9-(5-O-{Hydroxy[(hydroxy{[(4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methyl-4-hexen-1-yl]oxy}phosphoryl)methyl]phosphoryl}-L-ribofuranosyl)-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-(5-O-{Hydroxy[(hydroxy{[(4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methyl-4-hexen-1-yl]oxy}phosphoryl)methyl]phosphoryl}-L-ribofuranosyl)-9H-purin-6-amine [ACD/IUPAC Name]
9-(5-O-{Hydroxy[(hydroxy{[(4E)-6-(4-hydroxy-6-méthoxy-7-méthyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-méthyl-4-hexén-1-yl]oxy}phosphoryl)méthyl]phosphoryl}-L-ribofuranosyl)-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[5-O-[[[[[(4E)-6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexen-1-yl]oxy]hydroxyphosphinyl]methyl]hydroxyphosphinyl]-L-ribofuranosyl]- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1055.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 161.9±3.0 kJ/mol
Flash Point: 592.2±37.1 °C
Index of Refraction: 1.713
Molar Refractivity: 160.8±0.5 cm3
#H bond acceptors: 18
#H bond donors: 7
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 0.65
ACD/LogD (pH 5.5): -4.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 288 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 79.7±7.0 dyne/cm
Molar Volume: 410.1±7.0 cm3

Click to predict properties on the Chemicalize site


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