ChemSpider 2D Image | ET 729 | C38H41N3O11S

ET 729

  • Molecular FormulaC38H41N3O11S
  • Average mass747.811 Da
  • Monoisotopic mass747.246155 Da
  • ChemSpider ID24713272

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1R,1'R,2'R,3'R,11'S,12'S,14'R)-5',6,12'-Trihydroxy-6',7-dimethoxy-7',21'-dimethyl-27'-oxo-3,4-dihydro-2H-spiro[isoquinoline-1,26'-[17,19,28]trioxa[24]thia[13,30]diazaheptacyclo[12.9.6.13,11.02,13 .04,9.015,23.016,20]triaconta[4,6,8,15,20,22]hexaen]-22'-yl acetate [ACD/IUPAC Name]
ET 729

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.737
Molar Refractivity: 190.8±0.4 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 24.57
ACD/KOC (pH 5.5): 154.24
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 347.90
ACD/KOC (pH 7.4): 2183.81
Polar Surface Area: 203 Å2
Polarizability: 75.6±0.5 10-24cm3
Surface Tension: 88.9±5.0 dyne/cm
Molar Volume: 474.5±5.0 cm3

Click to predict properties on the Chemicalize site


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