ChemSpider 2D Image | 5-(6-Amino-9H-purin-9-yl)-3-hydroxy-2-[(phosphonooxy)methyl]tetrahydro-1-thiopheniumolate (non-preferred name) | C10H14N5O6PS

5-(6-Amino-9H-purin-9-yl)-3-hydroxy-2-[(phosphonooxy)methyl]tetrahydro-1-thiopheniumolate (non-preferred name)

  • Molecular FormulaC10H14N5O6PS
  • Average mass363.287 Da
  • Monoisotopic mass363.040253 Da
  • ChemSpider ID23138921

More details:

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

5-(6-Amino-9H-purin-9-yl)-3-hydroxy-2-[(phosphonooxy)methyl]tetrahydro-1-thiopheniumolat (non-preferred name) [German] [ACD/IUPAC Name]
5-(6-Amino-9H-purin-9-yl)-3-hydroxy-2-[(phosphonooxy)methyl]tetrahydro-1-thiopheniumolate (non-preferred name) [ACD/IUPAC Name]
5-(6-Amino-9H-purin-9-yl)-3-hydroxy-2-[(phosphonooxy)méthyl]tétrahydro-1-thiophéniumolate (non-preferred name) [French] [ACD/IUPAC Name]
Phosphoric acid mono-[5-(6-amino-purin-9-yl)-3-hydroxy-1-oxo-tetrahydro-1λ*4*-thiophen-2-ylmethyl] ester

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

Density: 2.3±0.1 g/cm3
Boiling Point: 873.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.0±3.0 kJ/mol
Flash Point: 482.2±37.1 °C
Index of Refraction: 1.980
Molar Refractivity: 76.4±0.5 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -3.61
ACD/LogD (pH 5.5): -6.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 203 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 166.1±7.0 dyne/cm
Molar Volume: 155.0±7.0 cm3

Click to predict properties on the Chemicalize site


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