ChemSpider 2D Image | 1-[(2r,4s,5r)-5-(Hydroxymethyl)-4-Oxidanyl-Oxolan-2-Yl]-5-[[(5r)-1-[(2r,4s,5r)-5-(Hydroxymethyl)-4-Oxidanyl-Oxolan-2-Yl]-5-Methyl-2,4-Bis(Oxidanylidene)-1,3-Diazinan-5-Yl]methyl]pyrimidine-2,4-Dione | C20H28N4O10

1-[(2r,4s,5r)-5-(Hydroxymethyl)-4-Oxidanyl-Oxolan-2-Yl]-5-[[(5r)-1-[(2r,4s,5r)-5-(Hydroxymethyl)-4-Oxidanyl-Oxolan-2-Yl]-5-Methyl-2,4-Bis(Oxidanylidene)-1,3-Diazinan-5-Yl]methyl]pyrimidine-2,4-Dione

  • Molecular FormulaC20H28N4O10
  • Average mass484.457 Da
  • Monoisotopic mass484.180542 Da
  • ChemSpider ID35033461

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

1-[(2R,4S,5R)-4-Hydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-5-({(5R)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-5-methyl-2,4-dioxohexahydro-5-pyrimidinyl}methyl)-2,4(1H,3H)-pyri midindion (non-preferred name) [German] [ACD/IUPAC Name]
1-[(2R,4S,5R)-4-Hydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-5-({(5R)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-5-methyl-2,4-dioxohexahydro-5-pyrimidinyl}methyl)-2,4(1H,3H)-pyri midinedione (non-preferred name) [ACD/IUPAC Name]
1-[(2R,4S,5R)-4-Hydroxy-5-(hydroxyméthyl)tétrahydro-2-furanyl]-5-({(5R)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxyméthyl)tétrahydro-2-furanyl]-5-méthyl-2,4-dioxohexahydro-5-pyrimidinyl}méthyl)-2,4(1H,3H)-pyri midinedione (non-preferred name) [French] [ACD/IUPAC Name]
1-[(2r,4s,5r)-5-(Hydroxymethyl)-4-Oxidanyl-Oxolan-2-Yl]-5-[[(5r)-1-[(2r,4s,5r)-5-(Hydroxymethyl)-4-Oxidanyl-Oxolan-2-Yl]-5-Methyl-2,4-Bis(Oxidanylidene)-1,3-Diazinan-5-Yl]methyl]pyrimidine-2,4-Dione
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.617
Molar Refractivity: 110.0±0.3 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -2.99
ACD/LogD (pH 5.5): -2.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 198 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 73.3±3.0 dyne/cm
Molar Volume: 314.4±3.0 cm3

Click to predict properties on the Chemicalize site


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