ChemSpider 2D Image | Ethyl (2R,6R)-4-[5-(2-amino-5-isobutyl-1,3-thiazol-4-yl)-2-furyl]-2,6-dimethyl-7-oxo-8-oxa-3,5-diaza-4-phosphadecan-1-oate 4-oxide | C21H33N4O6PS

Ethyl (2R,6R)-4-[5-(2-amino-5-isobutyl-1,3-thiazol-4-yl)-2-furyl]-2,6-dimethyl-7-oxo-8-oxa-3,5-diaza-4-phosphadecan-1-oate 4-oxide

  • Molecular FormulaC21H33N4O6PS
  • Average mass500.549 Da
  • Monoisotopic mass500.185852 Da
  • ChemSpider ID9700993

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,6R) 4-Oxyde de 4-[5-(2-amino-5-isobutyl-1,3-thiazol-4-yl)-2-furyl]-2,6-diméthyl-7-oxo-8-oxa-3,5-diaza-4-phosphadécan-1-oate d'éthyle [French] [ACD/IUPAC Name]
Ethyl (2R,6R)-4-[5-(2-amino-5-isobutyl-1,3-thiazol-4-yl)-2-furyl]-2,6-dimethyl-7-oxo-8-oxa-3,5-diaza-4-phosphadecan-1-oate 4-oxide [ACD/IUPAC Name]
Ethyl-(2R,6R)-4-[5-(2-amino-5-isobutyl-1,3-thiazol-4-yl)-2-furyl]-2,6-dimethyl-7-oxo-8-oxa-3,5-diaza-4-phosphadecan-1-oat-4-oxid [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 634.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.8±3.0 kJ/mol
Flash Point: 337.7±34.3 °C
Index of Refraction: 1.552
Molar Refractivity: 126.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 2.25
ACD/BCF (pH 5.5): 29.95
ACD/KOC (pH 5.5): 391.91
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 31.25
ACD/KOC (pH 7.4): 408.83
Polar Surface Area: 184 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 54.5±5.0 dyne/cm
Molar Volume: 394.2±5.0 cm3

Click to predict properties on the Chemicalize site


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