ChemSpider 2D Image | 5'-S-[1-(2-{[(2-Amino-4-oxo-1,4-dihydro-6-pteridinyl)methyl]amino}ethyl)-4-piperidinyl]-5'-thioadenosine | C24H32N12O4S

5'-S-[1-(2-{[(2-Amino-4-oxo-1,4-dihydro-6-pteridinyl)methyl]amino}ethyl)-4-piperidinyl]-5'-thioadenosine

  • Molecular FormulaC24H32N12O4S
  • Average mass584.654 Da
  • Monoisotopic mass584.239014 Da
  • ChemSpider ID26327016

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

5'-S-[1-(2-{[(2-Amino-4-oxo-1,4-dihydro-6-pteridinyl)methyl]amino}ethyl)-4-piperidinyl]-5'-thioadenosin [German] [ACD/IUPAC Name]
5'-S-[1-(2-{[(2-Amino-4-oxo-1,4-dihydro-6-pteridinyl)methyl]amino}ethyl)-4-piperidinyl]-5'-thioadenosine [ACD/IUPAC Name]
5'-S-[1-(2-{[(2-Amino-4-oxo-1,4-dihydro-6-ptéridinyl)méthyl]amino}éthyl)-4-pipéridinyl]-5'-thioadénosine [French] [ACD/IUPAC Name]
5'-S-[1-(2-{[(2-Amino-4-Oxo-3,4-Dihydropteridin-6-Yl)methyl]amino}ethyl)piperidin-4-Yl]-5'-Thioadenosine
Adenosine, 5'-S-[1-[2-[[(2-amino-3,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]ethyl]-4-piperidinyl]-5'-thio- [ACD/Index Name]
J1A

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.903
Molar Refractivity: 145.8±0.5 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -1.59
ACD/LogD (pH 5.5): -4.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 253 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 95.9±7.0 dyne/cm
Molar Volume: 312.7±7.0 cm3

Click to predict properties on the Chemicalize site


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