ChemSpider 2D Image | N-(6-Aminohexyl)-2'-deoxycytidine 5'-(tetrahydrogen triphosphate) | C15H29N4O13P3

N-(6-Aminohexyl)-2'-deoxycytidine 5'-(tetrahydrogen triphosphate)

  • Molecular FormulaC15H29N4O13P3
  • Average mass566.331 Da
  • Monoisotopic mass566.094421 Da
  • ChemSpider ID169050
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

Cytidine, N-(6-aminohexyl)-2'-deoxy-, 5'-(tetrahydrogen triphosphate) [ACD/Index Name]
N-(6-Aminohexyl)-2'-deoxycytidine 5'-(tetrahydrogen triphosphate) [ACD/IUPAC Name]
N-(6-Aminohexyl)-2'-desoxycytidin5'-(tetrahydrogentriphosphat) [German] [ACD/IUPAC Name]
N-(6-Aminohexyl)-2'-désoxycytidine-5'-(tétrahydrogène triphosphate) [French] [ACD/IUPAC Name]
({[(2R,3S,5R)-5-{4-[(6-AMINOHEXYL)AMINO]-2-OXOPYRIMIDIN-1-YL}-3-HYDROXYOXOLAN-2-YL]METHOXY(HYDROXY)PHOSPHORYL}OXY(HYDROXY)PHOSPHORYL)OXYPHOSPHONIC ACID
110537-14-9 [RN]
Dahctp
N(4)-(6-Aminohexyl)deoxycytidine 5'-triphosphate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.9±0.1 g/cm3
Boiling Point: 819.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 135.6±6.0 kJ/mol
Flash Point: 449.6±37.1 °C
Index of Refraction: 1.682
Molar Refractivity: 112.4±0.5 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: -5.45
ACD/LogD (pH 5.5): -10.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 289 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 105.1±7.0 dyne/cm
Molar Volume: 296.5±7.0 cm3

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