ChemSpider 2D Image | (2S,3R,4R,5R)-5-[(1R)-1,2-Dihydroxyethyl]-3,4-dihydroxytetrahydro-2-furanyl hydrogen {9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-9H-purin-6-yl}phosphoramidate (non-preferred name) | C16H24N5O12P

(2S,3R,4R,5R)-5-[(1R)-1,2-Dihydroxyethyl]-3,4-dihydroxytetrahydro-2-furanyl hydrogen {9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-9H-purin-6-yl}phosphoramidate (non-preferred name)

  • Molecular FormulaC16H24N5O12P
  • Average mass509.362 Da
  • Monoisotopic mass509.115906 Da
  • ChemSpider ID8943282

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2S,3R,4R,5R)-5-[(1R)-1,2-Dihydroxyethyl]-3,4-dihydroxytetrahydro-2-furanyl hydrogen {9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-9H-purin-6-yl}phosphoramidate (non-preferred name) [ACD/IUPAC Name]
(2S,3R,4R,5R)-5-[(1R)-1,2-Dihydroxyethyl]-3,4-dihydroxytetrahydro-2-furanyl-hydrogen{9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-9H-purin-6-yl}phosphoramidat (non-preferred n ame) [German] [ACD/IUPAC Name]
Hydrogéno{9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxyméthyl)tétrahydro-2-furanyl]-9H-purin-6-yl}phosphoramidate de (2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyéthyl]-3,4-dihydroxytétrahydro-2-furanyle (non-prefe rred name) [French] [ACD/IUPAC Name]

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

Density: 2.3±0.1 g/cm3
Boiling Point: 974.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 148.8±3.0 kJ/mol
Flash Point: 543.4±37.1 °C
Index of Refraction: 1.878
Molar Refractivity: 101.0±0.5 cm3
#H bond acceptors: 17
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -3.54
ACD/LogD (pH 5.5): -7.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 272 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 130.8±7.0 dyne/cm
Molar Volume: 220.8±7.0 cm3

Click to predict properties on the Chemicalize site


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