ChemSpider 2D Image | Arabinofuranosylcytosine triphosphate | C10H18N3O13P3

Arabinofuranosylcytosine triphosphate

  • Molecular FormulaC10H18N3O13P3
  • Average mass481.184 Da
  • Monoisotopic mass481.005249 Da
  • ChemSpider ID29784777
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

13191-15-6 [RN]
2(1H)-Pyrimidinone, 4-amino-1-[5-O-[hydroxy[[hydroxy(phosphonomethyl)phosphinyl]oxy]phosphinyl]-β-D-arabinofuranosyl]- [ACD/Index Name]
4-Amino-1-[5-O-(hydroxy{[hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl)-β-D-arabinofuranosyl]-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-1-[5-O-(hydroxy{[hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl)-β-D-arabinofuranosyl]-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-[5-O-(hydroxy{[hydroxy(phosphonométhyl)phosphoryl]oxy}phosphoryl)-β-D-arabinofuranosyl]-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
Arabinofuranosylcytosine triphosphate [Wiki]
Ara-CTP
Cytarabine Triphosphate
Cytosine arabinoside triphosphate

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

Density: 2.4±0.1 g/cm3
Boiling Point: 867.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 143.2±6.0 kJ/mol
Flash Point: 478.4±37.1 °C
Index of Refraction: 1.790
Molar Refractivity: 85.7±0.5 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -6.21
ACD/LogD (pH 5.5): -12.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 288 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 162.9±7.0 dyne/cm
Molar Volume: 202.4±7.0 cm3

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