ChemSpider 2D Image | CSID:24539956 | C45H54N4O8

  • Molecular FormulaC45H54N4O8
  • Average mass778.932 Da
  • Monoisotopic mass778.394165 Da
  • ChemSpider ID24539956

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

125317-39-7 [RN]
71486-22-1 [RN]
Methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(12S,14S)-16-ethyl-12-methoxycarbonyl-1,10-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8,15-pentaen-12-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.676
Molar Refractivity: 214.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.69
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 46.40
ACD/KOC (pH 5.5): 172.31
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 1887.72
ACD/KOC (pH 7.4): 7009.55
Polar Surface Area: 134 Å2
Polarizability: 84.9±0.5 10-24cm3
Surface Tension: 69.2±5.0 dyne/cm
Molar Volume: 569.7±5.0 cm3

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