ChemSpider 2D Image | (2R,3R,4R,5R)-5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-2-({[({(3R,4R)-4-({[{[(2R,3R,4R,5R)-5-(2-amino-6-oxo-6,8-dihydro-9H-purin-9-yl)-2-(hydroxymethyl)-4-methoxytetrahydro-3-furanyl]oxy}(hydroxy)p
hosphoryl]oxy}methyl)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-3-pyrrolidinyl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-methoxytetrahydro-3-furanyl 3-hydroxypropyl hydrogen phosphate (non-prefe
rred name) | C37H52N15O20P3

(2R,3R,4R,5R)-5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-2-({[({(3R,4R)-4-({[{[(2R,3R,4R,5R)-5-(2-amino-6-oxo-6,8-dihydro-9H-purin-9-yl)-2-(hydroxymethyl)-4-methoxytetrahydro-3-furanyl]oxy}(hydroxy)p hosphoryl]oxy}methyl)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-3-pyrrolidinyl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-methoxytetrahydro-3-furanyl 3-hydroxypropyl hydrogen phosphate (non-prefe rred name)

  • Molecular FormulaC37H52N15O20P3
  • Average mass1119.819 Da
  • Monoisotopic mass1119.272583 Da
  • ChemSpider ID25059211
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

(2R,3R,4R,5R)-5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-2-({[({(3R,4R)-4-({[{[(2R,3R,4R,5R)-5-(2-amino-6-oxo-6,8-dihydro-9H-purin-9-yl)-2-(hydroxymethyl)-4-methoxytetrahydro-3-furanyl]oxy}(hydroxy)p hosphoryl]oxy}methyl)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-3-pyrrolidinyl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-methoxytetrahydro-3-furanyl 3-hydroxypropyl hydrogen phosphate (non-prefe rred name) [ACD/IUPAC Name]
(2R,3R,4R,5R)-5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-2-({[({(3R,4R)-4-({[{[(2R,3R,4R,5R)-5-(2-amino-6-oxo-6,8-dihydro-9H-purin-9-yl)-2-(hydroxymethyl)-4-methoxytetrahydro-3-furanyl]oxy}(hydroxy)p hosphoryl]oxy}methyl)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-3-pyrrolidinyl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-methoxytetrahydro-3-furanyl-3-hydroxypropylhydrogenphosphat (non-preferre d name) [German] [ACD/IUPAC Name]
Hydrogénophosphate de (2R,3R,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-2-({[({(3R,4R)-4-({[{[(2R,3R,4R,5R)-5-(2-amino-6-oxo-6,8-dihydro-9H-purin-9-yl)-2-(hydroxyméthyl)-4-méthoxytétrahydro-3- furanyl]oxy}(hydroxy)phosphoryl]oxy}méthyl)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)méthyl]-3-pyrrolidinyl}oxy)(hydroxy)phosphoryl]oxy}méthyl)-4-méthoxytétrahydro-3-furanyle et de 3-hydroxypropyle [French] [ACD/IUPAC Name]

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

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.855
Molar Refractivity: 237.8±0.5 cm3
#H bond acceptors: 35
#H bond donors: 13
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 3
ACD/LogP: -7.86
ACD/LogD (pH 5.5): -11.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 514 Å2
Polarizability: 94.3±0.5 10-24cm3
Surface Tension: 116.5±7.0 dyne/cm
Molar Volume: 530.1±7.0 cm3

Click to predict properties on the Chemicalize site






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