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Search term: HEOCSFHUTISZKL-HBVTWTNQSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-[(2S,3S,4R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]butyl dihydrogen phosphate | C13H20N5O7P

1-[(2S,3S,4R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]butyl dihydrogen phosphate

  • Molecular FormulaC13H20N5O7P
  • Average mass389.301 Da
  • Monoisotopic mass389.110046 Da
  • ChemSpider ID24657999

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

1-[(2S,3S,4R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]butyl dihydrogen phosphate [ACD/IUPAC Name]
1-[(2S,3S,4R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]butyldihydrogenphosphat [German] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-(6,7,8-trideoxy-5-O-phosphono-D-ribo-octofuranosyl)- [ACD/Index Name]
Dihydrogénophosphate de 1-[(2S,3S,4R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]butyle [French] [ACD/IUPAC Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 760.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.2±3.0 kJ/mol
Flash Point: 413.4±35.7 °C
Index of Refraction: 1.792
Molar Refractivity: 83.6±0.5 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.19
ACD/LogD (pH 5.5): -4.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 196 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 100.6±7.0 dyne/cm
Molar Volume: 197.0±7.0 cm3

Click to predict properties on the Chemicalize site


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