ChemSpider 2D Image | (1S,2R,3S,4R,6R,7S,8R,14R)-4-Ethyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxotricyclo[5.4.3.0~1,8~]tetradec-6-yl [(5-imino-2,5-dihydro-1H-1,2,4-triazol-3-yl)sulfanyl]acetate | C24H38N4O4S

(1S,2R,3S,4R,6R,7S,8R,14R)-4-Ethyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxotricyclo[5.4.3.01,8]tetradec-6-yl [(5-imino-2,5-dihydro-1H-1,2,4-triazol-3-yl)sulfanyl]acetate

  • Molecular FormulaC24H38N4O4S
  • Average mass478.648 Da
  • Monoisotopic mass478.261383 Da
  • ChemSpider ID57261426

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1S,2R,3S,4R,6R,7S,8R,14R)-4-Ethyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxotricyclo[5.4.3.01,8]tetradec-6-yl [(5-imino-2,5-dihydro-1H-1,2,4-triazol-3-yl)sulfanyl]acetate [ACD/IUPAC Name]
(1S,2R,3S,4R,6R,7S,8R,14R)-4-Ethyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxotricyclo[5.4.3.01,8]tetradec-6-yl-[(5-imino-2,5-dihydro-1H-1,2,4-triazol-3-yl)sulfanyl]acetat [German] [ACD/IUPAC Name]
[(5-Imino-2,5-dihydro-1H-1,2,4-triazol-3-yl)sulfanyl]acétate de (1S,2R,3S,4R,6R,7S,8R,14R)-4-éthyl-3-hydroxy-2,4,7,14-tétraméthyl-9-oxotricyclo[5.4.3.01,8]tétradéc-6-yle [French] [ACD/IUPAC Name]
Acetic acid, 2-[(2,5-dihydro-5-imino-1H-1,2,4-triazol-3-yl)thio]-, (3aS,4R,5S,6R,8R,9S,9aR,10R)-6-ethyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-yl ester [ACD/Index Name]
76530-44-4 [RN]
Azamulin [INN]
MFCD00865055

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

Density: 1.4±0.1 g/cm3
Boiling Point: 574.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.8±6.0 kJ/mol
Flash Point: 301.0±32.9 °C
Index of Refraction: 1.666
Molar Refractivity: 126.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.47
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 99.26
ACD/KOC (pH 5.5): 878.32
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 123.40
ACD/KOC (pH 7.4): 1091.90
Polar Surface Area: 149 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 53.8±7.0 dyne/cm
Molar Volume: 340.0±7.0 cm3

Click to predict properties on the Chemicalize site


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