ChemSpider 2D Image | 2-[(Carboxymethyl)sulfanyl]adenosine | C12H15N5O6S

2-[(Carboxymethyl)sulfanyl]adenosine

  • Molecular FormulaC12H15N5O6S
  • Average mass357.342 Da
  • Monoisotopic mass357.074310 Da
  • ChemSpider ID28518778

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-[(Carboxymethyl)sulfanyl]adenosin [German] [ACD/IUPAC Name]
2-[(Carboxymethyl)sulfanyl]adenosine [ACD/IUPAC Name]
2-[(Carboxyméthyl)sulfanyl]adénosine [French] [ACD/IUPAC Name]
Adenosine, 2-[(carboxymethyl)thio]- [ACD/Index Name]

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

Density: 2.1±0.1 g/cm3
Boiling Point: 850.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.5±3.0 kJ/mol
Flash Point: 468.0±37.1 °C
Index of Refraction: 1.898
Molar Refractivity: 78.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -0.66
ACD/LogD (pH 5.5): -3.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 202 Å2
Polarizability: 31.2±0.5 10-24cm3
Surface Tension: 111.9±7.0 dyne/cm
Molar Volume: 169.4±7.0 cm3

Click to predict properties on the Chemicalize site


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