ChemSpider 2D Image | (3xi)-N-[(4-Aminophenyl)sulfonyl]-N-(5-methoxy-2-pyrimidinyl)-beta-D-ribo-hexopyranuronosylamine | C17H20N4O9S

(3ξ)-N-[(4-Aminophenyl)sulfonyl]-N-(5-methoxy-2-pyrimidinyl)-β-D-ribo-hexopyranuronosylamine

  • Molecular FormulaC17H20N4O9S
  • Average mass456.427 Da
  • Monoisotopic mass456.095093 Da
  • ChemSpider ID107443039

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(3ξ)-N-[(4-Aminophenyl)sulfonyl]-N-(5-methoxy-2-pyrimidinyl)-β-D-ribo-hexopyranuronosylamin [German] [ACD/IUPAC Name]
(3ξ)-N-[(4-Aminophenyl)sulfonyl]-N-(5-methoxy-2-pyrimidinyl)-β-D-ribo-hexopyranuronosylamine [ACD/IUPAC Name]
(3ξ)-N-[(4-Aminophényl)sulfonyl]-N-(5-méthoxy-2-pyrimidinyl)-β-D-ribo-hexopyranuronosylamine [French] [ACD/IUPAC Name]
β-D-ribo-Hexopyranuronosylamine, N-[(4-aminophenyl)sulfonyl]-N-(5-methoxy-2-pyrimidinyl)-, (3ξ)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 820.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.9±3.0 kJ/mol
Flash Point: 449.7±37.1 °C
Index of Refraction: 1.703
Molar Refractivity: 103.4±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -0.66
ACD/LogD (pH 5.5): -4.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 214 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 106.0±3.0 dyne/cm
Molar Volume: 266.6±3.0 cm3

Click to predict properties on the Chemicalize site


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