ChemSpider 2D Image | 2-Amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-1-{2-[(6E)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-6-imino-2-oxo-3,6-dihydro-1(2H)-pyrimidinyl]ethyl}-1,9- dihydro-6H-purin-6-one | C21H28N8O8

2-Amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-1-{2-[(6E)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-6-imino-2-oxo-3,6-dihydro-1(2H)-pyrimidinyl]ethyl}-1,9- dihydro-6H-purin-6-one

  • Molecular FormulaC21H28N8O8
  • Average mass520.496 Da
  • Monoisotopic mass520.203003 Da
  • ChemSpider ID143347

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

2-Amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-1-{2-[(6E)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-6-imino-2-oxo-3,6-dihydro-1(2H)-pyrimidinyl]ethyl}-1,9- dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-Amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-1-{2-[(6E)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-6-imino-2-oxo-3,6-dihydro-1(2H)-pyrimidinyl]ethyl}-1,9- dihydro-6H-purin-6-one [ACD/IUPAC Name]
2-Amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxyméthyl)tétrahydro-2-furanyl]-1-{2-[(6E)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxyméthyl)tétrahydro-2-furanyl]-6-imino-2-oxo-3,6-dihydro-1(2H)-pyrimidinyl]éthyl}-1,9- dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
1-(N(3)-Deoxycytidyl)-2-(N(1)-deoxyguanosinyl)ethane
1-DC-DG-E
83008-59-7 [RN]
Guanosine, 2'-deoxy-1-(2-(3-(2-deoxy-β-D-erythro-pentofuranosyl)-3,6-dihydro-6-imino-2-oxo-1(2H)-pyrimidinyl)ethyl)-

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

Density: 1.9±0.1 g/cm3
Boiling Point: 917.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.7±3.0 kJ/mol
Flash Point: 508.4±37.1 °C
Index of Refraction: 1.845
Molar Refractivity: 120.2±0.5 cm3
#H bond acceptors: 16
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -5.18
ACD/LogD (pH 5.5): -5.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 223 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 99.5±7.0 dyne/cm
Molar Volume: 270.4±7.0 cm3

Click to predict properties on the Chemicalize site


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