PLANNED MAINTENANCE

There will be scheduled maintenance work beginning on Wednesday 26th February 2020 from 11:00 AM through to 12.00 PM (GMT).

During this time, you may not be able to log into ChemSpider. We apologise for any inconvenience this might cause and thank you for your patience.


ChemSpider 2D Image | (2s)-2-Azanyl-4-[[(2s,3s,4r,5r)-5-[6-(Methylamino)purin-9-Yl]-3,4-Bis(Oxidanyl)oxolan-2-Yl]methylsulfanyl]butanoic Acid | C15H22N6O5S

(2s)-2-Azanyl-4-[[(2s,3s,4r,5r)-5-[6-(Methylamino)purin-9-Yl]-3,4-Bis(Oxidanyl)oxolan-2-Yl]methylsulfanyl]butanoic Acid

  • Molecular FormulaC15H22N6O5S
  • Average mass398.437 Da
  • Monoisotopic mass398.137238 Da
  • ChemSpider ID26329164
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(2s)-2-Azanyl-4-[[(2s,3s,4r,5r)-5-[6-(Methylamino)purin-9-Yl]-3,4-Bis(Oxidanyl)oxolan-2-Yl]methylsulfanyl]butanoic Acid
(2S)-2-Amino-4-[({(2S,3S,4R,5R)-3,4-dihydroxy-5-[6-(methylamino)-9H-purin-9-yl]tetrahydro-2-furanyl}methyl)sulfanyl]butanoic acid (non-preferred name) [ACD/IUPAC Name]
(2S)-2-Amino-4-[({(2S,3S,4R,5R)-3,4-dihydroxy-5-[6-(methylamino)-9H-purin-9-yl]tetrahydro-2-furanyl}methyl)sulfanyl]butansäure (non-preferred name) [German] [ACD/IUPAC Name]
(S)-2-Amino-4-((((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(methylamino)-9H-purin-9-yl)tetrahydrofuran-2-yl)methyl)thio)butanoic acid
50698-77-6 [RN]
Acide (2S)-2-amino-4-[({(2S,3S,4R,5R)-3,4-dihydroxy-5-[6-(méthylamino)-9H-purin-9-yl]tétrahydro-2-furanyl}méthyl)sulfanyl]butanoïque (non-preferred name) [French] [ACD/IUPAC Name]
Adenosine, 5'-S-[(3S)-3-amino-3-carboxypropyl]-N-methyl-5'-thio- [ACD/Index Name]
TT8

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

Density: 1.8±0.1 g/cm3
Boiling Point: 770.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.7±3.0 kJ/mol
Flash Point: 420.0±35.7 °C
Index of Refraction: 1.786
Molar Refractivity: 94.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 0.68
ACD/LogD (pH 5.5): -2.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 194 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 81.4±7.0 dyne/cm
Molar Volume: 224.1±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement