Found 3 results

Search term: MF = 'C_{27}H_{37}N_{9}O_{15}P_{2}'
ChemSpider 2D Image | (2R,3S,4R,5R)-2-({[({(2R,3S,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-2-[(phosphonooxy)methyl]tetrahydro-3-furanyl}oxy)(hydroxy)phosphoryl]oxy}methyl)-5-(6-amino-9H-purin-9-yl)-4-hydroxytetrahydro-3-fur anyl (2S)-2-(4-pentenoylamino)propanoate | C27H37N9O15P2

(2R,3S,4R,5R)-2-({[({(2R,3S,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-2-[(phosphonooxy)methyl]tetrahydro-3-furanyl}oxy)(hydroxy)phosphoryl]oxy}methyl)-5-(6-amino-9H-purin-9-yl)-4-hydroxytetrahydro-3-fur anyl (2S)-2-(4-pentenoylamino)propanoate

  • Molecular FormulaC27H37N9O15P2
  • Average mass789.581 Da
  • Monoisotopic mass789.188416 Da
  • ChemSpider ID8756513

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2R,3S,4R,5R)-2-({[({(2R,3S,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-2-[(phosphonooxy)methyl]tetrahydro-3-furanyl}oxy)(hydroxy)phosphoryl]oxy}methyl)-5-(6-amino-9H-purin-9-yl)-4-hydroxytetrahydro-3-fur anyl (2S)-2-(4-pentenoylamino)propanoate [ACD/IUPAC Name]
(2R,3S,4R,5R)-2-({[({(2R,3S,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-2-[(phosphonooxy)methyl]tetrahydro-3-furanyl}oxy)(hydroxy)phosphoryl]oxy}methyl)-5-(6-amino-9H-purin-9-yl)-4-hydroxytetrahydro-3-fur anyl-(2S)-2-(4-pentenoylamino)propanoat [German] [ACD/IUPAC Name]
(2S)-2-(4-Pentenoylamino)propanoate de (2R,3S,4R,5R)-2-({[({(2R,3S,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-2-[(phosphonooxy)méthyl]tétrahydro-3-furanyl}oxy)(hydroxy)phosphoryl]oxy}méthyl)-5-(6-amino-9 H-purin-9-yl)-4-hydroxytétrahydro-3-furanyle [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.758
Molar Refractivity: 170.6±0.5 cm3
#H bond acceptors: 24
#H bond donors: 9
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: -2.94
ACD/LogD (pH 5.5): -8.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 365 Å2
Polarizability: 67.6±0.5 10-24cm3
Surface Tension: 96.0±7.0 dyne/cm
Molar Volume: 415.3±7.0 cm3

Click to predict properties on the Chemicalize site


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