ChemSpider 2D Image | [(2R,3S,4R,5R)-5-(2-amino-8-anilino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [(2R,3S,5S)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate | C25H30N9O11P

[(2R,3S,4R,5R)-5-(2-amino-8-anilino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [(2R,3S,5S)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate

  • Molecular FormulaC25H30N9O11P
  • Average mass663.533 Da
  • Monoisotopic mass663.180237 Da
  • ChemSpider ID143777

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

114692-54-5 [RN]
Dcpg-An
Guanosine, 2'-deoxycytidylyl-(3'-5')-8-(phenylamino)-
N-(Deoxycytidylyl-(3'-5')-guanosin-8-yl)aniline

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

Density: 2.0±0.1 g/cm3
Boiling Point: 1019.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 155.9±3.0 kJ/mol
Flash Point: 570.2±37.1 °C
Index of Refraction: 1.858
Molar Refractivity: 147.9±0.5 cm3
#H bond acceptors: 20
#H bond donors: 10
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -2.15
ACD/LogD (pH 5.5): -6.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 301 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 108.3±7.0 dyne/cm
Molar Volume: 328.9±7.0 cm3

Click to predict properties on the Chemicalize site


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