ChemSpider 2D Image | (4S,11S,18S,25S)-4,11,18,25-Tetraisopropyl-6,13,20,27-tetraoxa-3,10,17,24,29,30,31,32-octaazapentacyclo[24.2.1.1~5,8~.1~12,15~.1~19,22~]dotriaconta-1(28),5(32),7,12(31),14,19(30),21,26(29)-octaene-2,9 ,16,23-tetrone | C32H40N8O8

(4S,11S,18S,25S)-4,11,18,25-Tetraisopropyl-6,13,20,27-tetraoxa-3,10,17,24,29,30,31,32-octaazapentacyclo[24.2.1.15,8.112,15.119,22]dotriaconta-1(28),5(32),7,12(31),14,19(30),21,26(29)-octaene-2,9 ,16,23-tetrone

  • Molecular FormulaC32H40N8O8
  • Average mass664.709 Da
  • Monoisotopic mass664.296936 Da
  • ChemSpider ID17625116

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4S,11S,18S,25S)-4,11,18,25-Tetraisopropyl-6,13,20,27-tetraoxa-3,10,17,24,29,30,31,32-octaazapentacyclo[24.2.1.15,8.112,15.119,22]dotriaconta-1(28),5(32),7,12(31),14,19(30),21,26(29)-octaen-2,9, 16,23-tetron [German] [ACD/IUPAC Name]
(4S,11S,18S,25S)-4,11,18,25-Tetraisopropyl-6,13,20,27-tetraoxa-3,10,17,24,29,30,31,32-octaazapentacyclo[24.2.1.15,8.112,15.119,22]dotriaconta-1(28),5(32),7,12(31),14,19(30),21,26(29)-octaene-2,9 ,16,23-tetrone [ACD/IUPAC Name]
(4S,11S,18S,25S)-4,11,18,25-Tétraisopropyl-6,13,20,27-tétraoxa-3,10,17,24,29,30,31,32-octaazapentacyclo[24.2.1.15,8.112,15.119,22]dotriaconta-1(28),5(32),7,12(31),14,19(30),21,26(29)-octaène-2,9 ,16,23-tétrone [French] [ACD/IUPAC Name]
6,13,20,27-Tetraoxa-3,10,17,24,29,30,31,32-octaazapentacyclo[24.2.1.15,8.112,15.119,22]dotriaconta-5(32),7,12(31),14,19(30),21,26(29),28-octaene-2,9,16,23-tetrone, 4,11,18,25-tetrakis(1-methylet 
hyl)-, (4S,11S,18S,25S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 986.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.0±3.0 kJ/mol
Flash Point: 550.4±34.3 °C
Index of Refraction: 1.509
Molar Refractivity: 166.2±0.3 cm3
#H bond acceptors: 16
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -2.19
ACD/LogD (pH 5.5): -0.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.97
ACD/LogD (pH 7.4): -0.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.97
Polar Surface Area: 221 Å2
Polarizability: 65.9±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 556.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement