Found 1 result

Search term: C1=C(C(=NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O)N)I (Found by conversion of search term to chemical structure (connectivity match))
ChemSpider 2D Image | 5-iodo-cytidine-5'-monophosphate | C9H13IN3O8P

5-iodo-cytidine-5'-monophosphate

  • Molecular FormulaC9H13IN3O8P
  • Average mass449.093 Da
  • Monoisotopic mass448.948486 Da
  • ChemSpider ID65322523

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

2-Pyrimidinol, 1,4-dihydro-4-imino-5-iodo-1-[(2ξ)-5-O-phosphono-β-D-erythro-pentofuranosyl]- [ACD/Index Name]
4-Imino-5-iod-1-[(2ξ)-5-O-phosphono-β-D-erythro-pentofuranosyl]-1,4-dihydro-2-pyrimidinol [German] [ACD/IUPAC Name]
4-Imino-5-iodo-1-[(2ξ)-5-O-phosphono-β-D-erythro-pentofuranosyl]-1,4-dihydro-2-pyrimidinol [ACD/IUPAC Name]
4-Imino-5-iodo-1-[(2ξ)-5-O-phosphono-β-D-érythro-pentofuranosyl]-1,4-dihydro-2-pyrimidinol [French] [ACD/IUPAC Name]
5-iodo-cytidine-5'-monophosphate

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

Density: 2.7±0.1 g/cm3
Boiling Point: 677.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.7±6.0 kJ/mol
Flash Point: 363.2±34.3 °C
Index of Refraction: 1.856
Molar Refractivity: 75.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -1.04
ACD/LogD (pH 5.5): -5.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 186 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 125.3±7.0 dyne/cm
Molar Volume: 167.6±7.0 cm3

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