ChemSpider 2D Image | 5-IODO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE | C9H12IN2O8P

5-IODO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE

  • Molecular FormulaC9H12IN2O8P
  • Average mass434.078 Da
  • Monoisotopic mass433.937592 Da
  • ChemSpider ID26329697

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-(2-Deoxy-5-O-phosphono-α-L-erythro-pentofuranosyl)-5-iodo-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-(2-Desoxy-5-O-phosphono-α-L-erythro-pentofuranosyl)-5-iod-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-(2-Désoxy-5-O-phosphono-α-L-érythro-pentofuranosyl)-5-iodo-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-5-O-phosphono-α-L-erythro-pentofuranosyl)-5-iodo- [ACD/Index Name]
5-IODO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE
[(2S,3R,5R)-3-hydroxy-5-(5-iodo-2,4-dioxo-3H-pyrimidin-1-yl)oxolan-2-yl]methoxyphosphonic acid
{[(2S,3R,5R)-3-hydroxy-5-(5-iodo-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}phosphonic acid

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

Density: 2.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.697
Molar Refractivity: 74.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.20
ACD/LogD (pH 5.5): -5.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 155 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 99.4±5.0 dyne/cm
Molar Volume: 194.1±5.0 cm3

Click to predict properties on the Chemicalize site


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