ChemSpider 2D Image | (2R,3S,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-2-(hydroxymethyl)tetrahydro-3-furanyl [(2R,3S,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3-hydroxytetrahydro-2-furanyl]methyl hydrogen (R)-phosphate (non-pr eferred name) | C18H25N6O10P

(2R,3S,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-2-(hydroxymethyl)tetrahydro-3-furanyl [(2R,3S,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3-hydroxytetrahydro-2-furanyl]methyl hydrogen (R)-phosphate (non-pr eferred name)

  • Molecular FormulaC18H25N6O10P
  • Average mass516.399 Da
  • Monoisotopic mass516.136963 Da
  • ChemSpider ID394281

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2R,3S,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-2-(hydroxymethyl)tetrahydro-3-furanyl [(2R,3S,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3-hydroxytetrahydro-2-furanyl]methyl hydrogen (R)-phosphate (non-pr eferred name) [ACD/IUPAC Name]
(2R,3S,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-2-(hydroxymethyl)tetrahydro-3-furanyl-[(2R,3S,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3-hydroxytetrahydro-2-furanyl]methylhydrogen(R)-phosphat (non-prefe rred name) [German] [ACD/IUPAC Name]
Hydrogéno(R)-phosphate de (2R,3S,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-2-(hydroxyméthyl)tétrahydro-3-furanyle et de [(2R,3S,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3-hydroxytétrahydro-2-furanyl]méth yle [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: 816.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 135.0±6.0 kJ/mol
Flash Point: 447.3±37.1 °C
Index of Refraction: 1.785
Molar Refractivity: 110.7±0.5 cm3
#H bond acceptors: 16
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.30
ACD/LogD (pH 5.5): -7.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 242 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 102.4±7.0 dyne/cm
Molar Volume: 262.5±7.0 cm3

Click to predict properties on the Chemicalize site


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