Found 4 results

Search term: MDYXMIBUOJQPHR (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-(2-Deoxy-beta-D-erythro-pentofuranosyl)-1,2,4-triazine-3,5(2H,4H)-dione | C8H11N3O5

2-(2-Deoxy-β-D-erythro-pentofuranosyl)-1,2,4-triazine-3,5(2H,4H)-dione

  • Molecular FormulaC8H11N3O5
  • Average mass229.190 Da
  • Monoisotopic mass229.069870 Da
  • ChemSpider ID22938002

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1,2,4-Triazine-3,5(2H,4H)-dione, 2-(2-deoxy-β-D-erythro-pentofuranosyl)- [ACD/Index Name]
2-(2-Deoxy-β-D-erythro-pentofuranosyl)-1,2,4-triazine-3,5(2H,4H)-dione [ACD/IUPAC Name]
2-(2-Desoxy-β-D-erythro-pentofuranosyl)-1,2,4-triazin-3,5(2H,4H)-dion [German] [ACD/IUPAC Name]
2-(2-Désoxy-β-D-érythro-pentofuranosyl)-1,2,4-triazine-3,5(2H,4H)-dione [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.754
Molar Refractivity: 49.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.90
ACD/LogD (pH 5.5): -1.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.53
ACD/LogD (pH 7.4): -1.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.67
Polar Surface Area: 111 Å2
Polarizability: 19.5±0.5 10-24cm3
Surface Tension: 88.8±7.0 dyne/cm
Molar Volume: 120.3±7.0 cm3

Click to predict properties on the Chemicalize site


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