ChemSpider 2D Image | 2-[[6-amino-1-(2-aminoethylidene)hexyl]sulfanylmethyl]-5-(6-aminopurin-9-yl)tetrahydrofuran-3,4-diol | C18H29N7O3S

2-[[6-amino-1-(2-aminoethylidene)hexyl]sulfanylmethyl]-5-(6-aminopurin-9-yl)tetrahydrofuran-3,4-diol

  • Molecular FormulaC18H29N7O3S
  • Average mass423.533 Da
  • Monoisotopic mass423.205261 Da
  • ChemSpider ID26326053

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

5'-S-[(2E)-1,8-Diamino-2-octen-3-yl]-5'-thioadenosin [German] [ACD/IUPAC Name]
5'-S-[(2E)-1,8-Diamino-2-octen-3-yl]-5'-thioadenosine [ACD/IUPAC Name]
5'-S-[(2E)-1,8-Diamino-2-octén-3-yl]-5'-thioadénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-S-[(1E)-6-amino-1-(2-aminoethylidene)hexyl]-5'-thio- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 764.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.7±3.0 kJ/mol
Flash Point: 415.9±35.7 °C
Index of Refraction: 1.738
Molar Refractivity: 107.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 8
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 0.94
ACD/LogD (pH 5.5): -4.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 197 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 72.2±7.0 dyne/cm
Molar Volume: 267.5±7.0 cm3

Click to predict properties on the Chemicalize site


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