ChemSpider 2D Image | (15S,16R,18R)-3'-(2-Methoxyethyl)-15-methyl-2'H,3H,4'H-spiro[28-oxa-4,14,19-triazaoctacyclo[12.11.2.1~15,18~.0~2,6~.0~7,27~.0~8,13~.0~19,26~.0~20,25~]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16,5'-[1, 3]oxazolidine]-2',3,4'-trione | C30H24N4O6

(15S,16R,18R)-3'-(2-Methoxyethyl)-15-methyl-2'H,3H,4'H-spiro[28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16,5'-[1, 3]oxazolidine]-2',3,4'-trione

  • Molecular FormulaC30H24N4O6
  • Average mass536.535 Da
  • Monoisotopic mass536.169556 Da
  • ChemSpider ID88293788

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(15S,16R,18R)-3'-(2-Methoxyethyl)-15-methyl-2'H,3H,4'H-spiro[28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16,5'-[1, 
3]oxazolidine]-2',3,4'-trione [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.844
Molar Refractivity: 140.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 4.83
ACD/LogD (pH 5.5): 3.92
ACD/BCF (pH 5.5): 561.68
ACD/KOC (pH 5.5): 3233.60
ACD/LogD (pH 7.4): 3.92
ACD/BCF (pH 7.4): 561.68
ACD/KOC (pH 7.4): 3233.60
Polar Surface Area: 104 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 75.8±7.0 dyne/cm
Molar Volume: 315.5±7.0 cm3

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