ChemSpider 2D Image | DIPHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | C11H19N5O15P4

DIPHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER

  • Molecular FormulaC11H19N5O15P4
  • Average mass585.188 Da
  • Monoisotopic mass584.982788 Da
  • ChemSpider ID393793

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

5'-O-[(R)-Hydroxy{[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]oxy}phosphoryl]adenosin [German] [ACD/IUPAC Name]
5'-O-[(R)-Hydroxy{[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]oxy}phosphoryl]adenosine [ACD/IUPAC Name]
5'-O-[(R)-Hydroxy{[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]méthyl}phosphoryl]oxy}phosphoryl]adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[(R)-hydroxy[[(S)-hydroxy[(1S)-[(S)-hydroxy(phosphonooxy)phosphinyl]methyl]phosphinyl]oxy]phosphinyl]- [ACD/Index Name]
DIPHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
AB3
ACQ
ADENOSINE-5'-[β, γ-METHYLENE]TETRAPHOSPHATE

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

Density: 2.6±0.1 g/cm3
Boiling Point: 1036.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 158.8±3.0 kJ/mol
Flash Point: 580.7±37.1 °C
Index of Refraction: 1.889
Molar Refractivity: 103.0±0.5 cm3
#H bond acceptors: 20
#H bond donors: 9
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -6.14
ACD/LogD (pH 5.5): -13.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -14.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 356 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 203.5±7.0 dyne/cm
Molar Volume: 223.3±7.0 cm3

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