Found 1 result

Search term: Nc1nc(=O)n(cc1Br)[C@H]1C[C@H](O)[C@@H](COP(O)(O)=O)O1 (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 5-bromo-2'-deoxy-cytidine-5'-monophosphate | C9H13BrN3O7P

5-bromo-2'-deoxy-cytidine-5'-monophosphate

  • Molecular FormulaC9H13BrN3O7P
  • Average mass386.093 Da
  • Monoisotopic mass384.967438 Da
  • ChemSpider ID18932977

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

5-Brom-2'-desoxycytidin5'-(dihydrogenphosphat) [German] [ACD/IUPAC Name]
5-Bromo-2'-deoxycytidine 5'-(dihydrogen phosphate) [ACD/IUPAC Name]
5-bromo-2'-deoxy-cytidine-5'-monophosphate
5-Bromo-2'-désoxycytidine-5'-(dihydrogène phosphate) [French] [ACD/IUPAC Name]
Cytidine, 5-bromo-2'-deoxy-, 5'-(dihydrogen phosphate) [ACD/Index Name]
((2R,3S,5R)-5-(4-Amino-5-bromo-2-oxopyrimidin-1(2H)-yl)-3-hydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate
5-bromo-2'-deoxycytidine 5'-monophosphate
6674-56-2 [RN]

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

Density: 2.3±0.1 g/cm3
Boiling Point: 641.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.5±6.0 kJ/mol
Flash Point: 341.7±34.3 °C
Index of Refraction: 1.780
Molar Refractivity: 69.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -1.44
ACD/LogD (pH 5.5): -5.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 165 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 110.6±7.0 dyne/cm
Molar Volume: 165.2±7.0 cm3

Click to predict properties on the Chemicalize site


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