ChemSpider 2D Image | 7-(2-Deoxy-beta-L-erythro-pentofuranosyl)-2-imino-5-iodo-1,2,3,7-tetrahydro-4H-pyrrolo[2,3-d]pyrimidin-4-one | C11H13IN4O4

7-(2-Deoxy-β-L-erythro-pentofuranosyl)-2-imino-5-iodo-1,2,3,7-tetrahydro-4H-pyrrolo[2,3-d]pyrimidin-4-one

  • Molecular FormulaC11H13IN4O4
  • Average mass392.150 Da
  • Monoisotopic mass391.998138 Da
  • ChemSpider ID68025008

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

4H-Pyrrolo[2,3-d]pyrimidin-4-one, 7-(2-deoxy-β-L-erythro-pentofuranosyl)-1,2,3,7-tetrahydro-2-imino-5-iodo- [ACD/Index Name]
7-(2-Deoxy-β-L-erythro-pentofuranosyl)-2-imino-5-iodo-1,2,3,7-tetrahydro-4H-pyrrolo[2,3-d]pyrimidin-4-one [ACD/IUPAC Name]
7-(2-Desoxy-β-L-erythro-pentofuranosyl)-2-imino-5-iod-1,2,3,7-tetrahydro-4H-pyrrolo[2,3-d]pyrimidin-4-on [German] [ACD/IUPAC Name]
7-(2-Désoxy-β-L-érythro-pentofuranosyl)-2-imino-5-iodo-1,2,3,7-tétrahydro-4H-pyrrolo[2,3-d]pyrimidin-4-one [French] [ACD/IUPAC Name]
7-Deaza-7-iodo-2'-deoxyguanosine

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

Density: 2.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.919
Molar Refractivity: 74.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 0.09
ACD/LogD (pH 5.5): -1.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.36
ACD/LogD (pH 7.4): 0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.06
Polar Surface Area: 120 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 97.9±7.0 dyne/cm
Molar Volume: 157.2±7.0 cm3

Click to predict properties on the Chemicalize site


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