ChemSpider 2D Image | cucurbit[6]uril | C36H36N24O12

cucurbit[6]uril

  • Molecular FormulaC36H36N24O12
  • Average mass996.825 Da
  • Monoisotopic mass996.294434 Da
  • ChemSpider ID21489945

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

cucurbit[6]uril
259886-50-5 [RN]
283175-97-3 [RN]
4933186 [Beilstein]
80262-44-8 [RN]
CB[6]
cucurbituril [Wiki]
dodecahydro-1H,4H,14H,17H-2,16:3,15-dimethano-5H,6H,7H,8H,9H,10H,11H,12H,13H,18H,19H,20H,21H,22H,23H,24H,25H,26H-2,3,4a,5a,6a,7a,8a,9a,10a,11a,12a,13a,15,16,17a,18a,19a,20a,21a,22a,23a,24a,25a,26a-tetracosaazabispentaleno[1''',6''':5'',6'',7'']cycloocta[1'',2'',3'':3',4']pentaleno(1',6':5,6,7)cycloocta(1,2,3-gh:1',2',3'-g'h')cycloocta(1,2,3-cd:5,6,7-c'd')dipentalene-1,4,6,8,10,12,14,17,19,21,23,25-dodecone

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

Density: 2.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 2.341
Molar Refractivity: 224.3±0.4 cm3
#H bond acceptors: 36
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 3
ACD/LogP: 8.48
ACD/LogD (pH 5.5): 3.23
ACD/BCF (pH 5.5): 167.70
ACD/KOC (pH 5.5): 1360.35
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 167.70
ACD/KOC (pH 7.4): 1360.35
Polar Surface Area: 283 Å2
Polarizability: 88.9±0.5 10-24cm3
Surface Tension: 318.5±5.0 dyne/cm
Molar Volume: 374.4±5.0 cm3

Click to predict properties on the Chemicalize site


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