ChemSpider 2D Image | 4-Amino-1-[4-amino-2,3,4-trideoxy-beta-D-(2,4-~2~H_2_)-erythro-hex-2-enopyranuronosyl]-2(1H)-pyrimidinone | C10H10D2N4O4

4-Amino-1-[4-amino-2,3,4-trideoxy-β-D-(2,4-2H2)-erythro-hex-2-enopyranuronosyl]-2(1H)-pyrimidinone

  • Molecular FormulaC10H10D2N4O4
  • Average mass254.239 Da
  • Monoisotopic mass254.098404 Da
  • ChemSpider ID8553044
  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

2(1H)-Pyrimidinone, 4-amino-1-(4-amino-2,3,4-trideoxy-β-D-erythro-hex-2-enopyranuronosyl-2,4-d2)- [ACD/Index Name]
4-Amino-1-[4-amino-2,3,4-trideoxy-β-D-(2,4-2H2)-erythro-hex-2-enopyranuronosyl]-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-[4-amino-2,3,4-tridesoxy-β-D-(2,4-2H2)-erythro-hex-2-enopyranuronosyl]-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-1-[4-amino-2,3,4-tridésoxy-β-D-(2,4-2H2)-érythro-hex-2-énopyranuronosyl]-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 526.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 87.6±6.0 kJ/mol
Flash Point: 272.1±32.9 °C
Index of Refraction: 1.744
Molar Refractivity: 58.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -1.74
ACD/LogD (pH 5.5): -4.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 131 Å2
Polarizability: 23.1±0.5 10-24cm3
Surface Tension: 83.4±7.0 dyne/cm
Molar Volume: 144.0±7.0 cm3

Click to predict properties on the Chemicalize site