ChemSpider 2D Image | (1S,7R,8R,12R,13S,19R,20S,24R)-1,7,13,19-Tetrakis[dimethyl(2-methyl-2-propanyl)silyl]-10,22-dimethyl-25,26-dioxa-10,22-diazaoctacyclo[17.5.1.1~7,13~.0~2,18~.0~3,15~.0~6,14~.0~8,12~.0~20,24~]hexacosa-2 (18),3,5,14,16-pentaene-9,11,21,23-tetrone | C48H74N2O6Si4

(1S,7R,8R,12R,13S,19R,20S,24R)-1,7,13,19-Tetrakis[dimethyl(2-methyl-2-propanyl)silyl]-10,22-dimethyl-25,26-dioxa-10,22-diazaoctacyclo[17.5.1.17,13.02,18.03,15.06,14.08,12.020,24]hexacosa-2 (18),3,5,14,16-pentaene-9,11,21,23-tetrone

  • Molecular FormulaC48H74N2O6Si4
  • Average mass887.453 Da
  • Monoisotopic mass886.462402 Da
  • ChemSpider ID30658988

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(1S,7R,8R,12R,13S,19R,20S,24R)-1,7,13,19-Tetrakis[dimethyl(2-methyl-2-propanyl)silyl]-10,22-dimethyl-25,26-dioxa-10,22-diazaoctacyclo[17.5.1.17,13.02,18.03,15.06,14.08,12.020,24]hexacosa-2 
(18),3,5,14,16-pentaen-9,11,21,23-tetron [German] [ACD/IUPAC Name]
(1S,7R,8R,12R,13S,19R,20S,24R)-1,7,13,19-Tetrakis[dimethyl(2-methyl-2-propanyl)silyl]-10,22-dimethyl-25,26-dioxa-10,22-diazaoctacyclo[17.5.1.17,13.02,18.03,15.06,14.08,12.020,24]hexacosa-2 
(18),3,5,14,16-pentaene-9,11,21,23-tetrone [ACD/IUPAC Name]
(1S,7R,8R,12R,13S,19R,20S,24R)-1,7,13,19-Tétrakis[diméthyl(2-méthyl-2-propanyl)silyl]-10,22-diméthyl-25,26-dioxa-10,22-diazaoctacyclo[17.5.1.17,13.02,18.03,15.06,14.08,12.020,24]hexacosa-2 
(18),3,5,14,16-pentaène-9,11,21,23-tétrone [French] [ACD/IUPAC Name]
4,14:7,11-Diepoxynaphtho[1,2-f:5,6-f']diisoindole-1,3,8,10(2H,9H)-tetrone, 4,7,11,14-tetrakis[(1,1-dimethylethyl)dimethylsilyl]-3a,4,7,7a,10a,11,14,14a-octahydro-2,9-dimethyl-, (3aR,4S,7R,7aR,10aR,11S ,14R,14aS)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 811.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.9±3.0 kJ/mol
Flash Point: 444.5±34.3 °C
Index of Refraction: 1.565
Molar Refractivity: 254.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 12.94
ACD/LogD (pH 5.5): 12.74
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.74
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 93 Å2
Polarizability: 101.0±0.5 10-24cm3
Surface Tension: 39.9±5.0 dyne/cm
Molar Volume: 781.9±5.0 cm3

Click to predict properties on the Chemicalize site


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