ChemSpider 2D Image | 2(1H)-Pyrimidinone, 4-amino-1-[O-beta-D-galactopyranosyl-(1->2)-O-[beta-D-galactopyranosyl-(1->3)]-beta-D-arabinofuranosyl]- | C21H33N3O15

2(1H)-Pyrimidinone, 4-amino-1-[O-β-D-galactopyranosyl-(1->2)-O-[β-D-galactopyranosyl-(1->3)]-β-D-arabinofuranosyl]-

  • Molecular FormulaC21H33N3O15
  • Average mass567.498 Da
  • Monoisotopic mass567.191162 Da
  • ChemSpider ID170579

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

2(1H)-Pyrimidinone, 4-amino-1-[O-β-D-galactopyranosyl-(1->2)-O-[β-D-galactopyranosyl-(1->3)]-β-D-arabinofuranosyl]- [ACD/Index Name]
155603-73-9 [RN]
3'-Gal-1-4-gal-ara-C
3'-O-Galactopyranosyl-1-4-O-galactopyranosyl-ara-C
3'-O-Galactopyranosyl-1-4-O-galactopyranosylcytarabine

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

Density: 2.1±0.1 g/cm3
Boiling Point: 910.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 150.2±6.0 kJ/mol
Flash Point: 504.2±37.1 °C
Index of Refraction: 1.769
Molar Refractivity: 113.5±0.5 cm3
#H bond acceptors: 18
#H bond donors: 11
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -6.67
ACD/LogD (pH 5.5): -6.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 287 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 97.6±7.0 dyne/cm
Molar Volume: 273.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement