ChemSpider 2D Image | (2S)-2-[(1S)-1-(6-Amino-9H-purin-9-yl)-2-oxoethoxy]-3-hydroxypropanal | C10H11N5O4

(2S)-2-[(1S)-1-(6-Amino-9H-purin-9-yl)-2-oxoethoxy]-3-hydroxypropanal

  • Molecular FormulaC10H11N5O4
  • Average mass265.225 Da
  • Monoisotopic mass265.081116 Da
  • ChemSpider ID62353875

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-[(1S)-1-(6-Amino-9H-purin-9-yl)-2-oxoethoxy]-3-hydroxypropanal [German] [ACD/IUPAC Name]
(2S)-2-[(1S)-1-(6-Amino-9H-purin-9-yl)-2-oxoethoxy]-3-hydroxypropanal [ACD/IUPAC Name]
(2S)-2-[(1S)-1-(6-Amino-9H-purin-9-yl)-2-oxoéthoxy]-3-hydroxypropanal [French] [ACD/IUPAC Name]
9H-Purine-9-acetaldehyde, 6-amino-α-[(1S)-1-formyl-2-hydroxyethoxy]-, (αS)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 532.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.1±3.0 kJ/mol
Flash Point: 276.1±32.9 °C
Index of Refraction: 1.730
Molar Refractivity: 62.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -1.23
ACD/LogD (pH 5.5): -0.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.14
ACD/LogD (pH 7.4): -0.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.22
Polar Surface Area: 133 Å2
Polarizability: 24.8±0.5 10-24cm3
Surface Tension: 79.3±7.0 dyne/cm
Molar Volume: 156.7±7.0 cm3

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