ChemSpider 2D Image | 5'-O-[(4S)-4-(3-Methoxy-4-pyridinyl)-2-oxido-1,3,2-dioxaphosphinan-2-yl]-2'-C-methyladenosine | C20H25N6O8P

5'-O-[(4S)-4-(3-Methoxy-4-pyridinyl)-2-oxido-1,3,2-dioxaphosphinan-2-yl]-2'-C-methyladenosine

  • Molecular FormulaC20H25N6O8P
  • Average mass508.422 Da
  • Monoisotopic mass508.147156 Da
  • ChemSpider ID62492064

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

5'-O-[(2S,4S)-4-(3-Methoxy-4-pyridinyl)-2-oxido-1,3,2-dioxaphosphinan-2-yl]-2'-C-methyladenosin [German] [ACD/IUPAC Name]
5'-O-[(2S,4S)-4-(3-Methoxy-4-pyridinyl)-2-oxido-1,3,2-dioxaphosphinan-2-yl]-2'-C-methyladenosine [ACD/IUPAC Name]
5'-O-[(2S,4S)-4-(3-Méthoxy-4-pyridinyl)-2-oxydo-1,3,2-dioxaphosphinan-2-yl]-2'-C-méthyladénosine [French] [ACD/IUPAC Name]
5'-O-[(4S)-4-(3-Methoxy-4-pyridinyl)-2-oxido-1,3,2-dioxaphosphinan-2-yl]-2'-C-methyladenosin [German] [ACD/IUPAC Name]
5'-O-[(4S)-4-(3-Methoxy-4-pyridinyl)-2-oxido-1,3,2-dioxaphosphinan-2-yl]-2'-C-methyladenosine [ACD/IUPAC Name]
5'-O-[(4S)-4-(3-Méthoxy-4-pyridinyl)-2-oxydo-1,3,2-dioxaphosphinan-2-yl]-2'-C-méthyladénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[(2S,4S)-4-(3-methoxy-4-pyridinyl)-2-oxido-1,3,2-dioxaphosphorinan-2-yl]-2'-C-methyl- [ACD/Index Name]
Adenosine, 5'-O-[(4S)-4-(3-methoxy-4-pyridinyl)-2-oxido-1,3,2-dioxaphosphorinan-2-yl]-2'-C-methyl- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 768.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.4±3.0 kJ/mol
Flash Point: 418.8±35.7 °C
Index of Refraction: 1.749
Molar Refractivity: 116.6±0.5 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 0.65
ACD/LogD (pH 5.5): 0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 23.02
ACD/LogD (pH 7.4): 0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.38
Polar Surface Area: 196 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 80.6±7.0 dyne/cm
Molar Volume: 286.3±7.0 cm3

Click to predict properties on the Chemicalize site


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