Found 1 result

Search term: MF = 'C_{12}H_{15}DN_{6}O_{4}'

ChemSpider 2D Image | (2S,3S,4R)-5-(6-Amino-9H-purin-9-yl)-N-[(2-~2~H_1_)ethyl]-3,4-dihydroxytetrahydro-2-furancarboxamide (non-preferred name) | C12H15DN6O4

(2S,3S,4R)-5-(6-Amino-9H-purin-9-yl)-N-[(2-2H1)ethyl]-3,4-dihydroxytetrahydro-2-furancarboxamide (non-preferred name)

  • Molecular FormulaC12H15DN6O4
  • Average mass309.299 Da
  • Monoisotopic mass309.129578 Da
  • ChemSpider ID67168743
  • defined stereocentres - 3 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(2S,3S,4R)-5-(6-Amino-9H-purin-9-yl)-N-[(2-2H1)ethyl]-3,4-dihydroxytetrahydro-2-furancarboxamid (non-preferred name) [German] [ACD/IUPAC Name]
(2S,3S,4R)-5-(6-Amino-9H-purin-9-yl)-N-[(2-2H1)ethyl]-3,4-dihydroxytetrahydro-2-furancarboxamide (non-preferred name) [ACD/IUPAC Name]
(2S,3S,4R)-5-(6-Amino-9H-purin-9-yl)-N-[(2-2H1)éthyl]-3,4-dihydroxytétrahydro-2-furanecarboxamide (non-preferred name) [French] [ACD/IUPAC Name]
1-(6-amino-9h-purin-9-yl)-1-deoxy-N-ethyl-??-d-ribofuranuronamide

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: 1.829
Molar Refractivity: 72.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: -0.48
ACD/LogD (pH 5.5): -0.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.15
ACD/LogD (pH 7.4): -0.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.45
Polar Surface Area: 148 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 87.6±7.0 dyne/cm
Molar Volume: 164.2±7.0 cm3

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