ChemSpider 2D Image | Ethyl (2R,4r,6S)-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 (non-preferred name) | C21H33N4O6PS

Ethyl (2R,4r,6S)-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 (non-preferred name)

  • Molecular FormulaC21H33N4O6PS
  • Average mass500.549 Da
  • Monoisotopic mass500.185852 Da
  • ChemSpider ID62429960

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

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

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

Density: 1.4±0.1 g/cm3
Boiling Point: 598.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.1±3.0 kJ/mol
Flash Point: 315.6±32.9 °C
Index of Refraction: 1.604
Molar Refractivity: 125.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 2.61
ACD/LogD (pH 5.5): 0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.34
ACD/LogD (pH 7.4): 0.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.92
Polar Surface Area: 178 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 50.4±7.0 dyne/cm
Molar Volume: 365.2±7.0 cm3

Click to predict properties on the Chemicalize site


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