Found 43 results

Search term: MF = 'C_{11}H_{18}N_{5}O_{12}P_{3}'
ChemSpider 2D Image | {[{[{[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]oxy}(methoxy)phosphoryl]oxy}(hydroxy)phosphoryl]methyl}phosphonic acid | C11H18N5O12P3

{[{[{[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]oxy}(methoxy)phosphoryl]oxy}(hydroxy)phosphoryl]methyl}phosphonic acid

  • Molecular FormulaC11H18N5O12P3
  • Average mass505.208 Da
  • Monoisotopic mass505.016479 Da
  • ChemSpider ID68026565

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

{[{[{[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]oxy}(methoxy)phosphoryl]oxy}(hydroxy)phosphoryl]methyl}phosphonic acid [ACD/IUPAC Name]
{[{[{[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]oxy}(methoxy)phosphoryl]oxy}(hydroxy)phosphoryl]methyl}phosphonsäure [German] [ACD/IUPAC Name]
Acide {[{[{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]oxy}(méthoxy)phosphoryl]oxy}(hydroxy)phosphoryl]méthyl}phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [[[[[[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)tetrahydro-3,4-dihydroxy-2-furanyl]oxy]methoxyphosphinyl]oxy]hydroxyphosphinyl]methyl]- [ACD/Index Name]
[[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]oxy-methoxyphosphoryl]oxy-hydroxyphosphoryl]methylphosphonic acid
105437-03-4 [RN]

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

Density: 2.4±0.1 g/cm3
Boiling Point: 896.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.5±3.0 kJ/mol
Flash Point: 495.8±37.1 °C
Index of Refraction: 1.843
Molar Refractivity: 93.4±0.5 cm3
#H bond acceptors: 17
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.19
ACD/LogD (pH 5.5): -8.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 288 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 158.7±7.0 dyne/cm
Molar Volume: 210.3±7.0 cm3

Click to predict properties on the Chemicalize site


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