ChemSpider 2D Image | ulithiacyclamide | C32H42N8O6S4

ulithiacyclamide

  • Molecular FormulaC32H42N8O6S4
  • Average mass762.986 Da
  • Monoisotopic mass762.210999 Da
  • ChemSpider ID10263374

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,4R,5S,8R,15R,18R,19S,22R)-8,22-Diisobutyl-4,18-dimethyl-3,17-dioxa-10,24,30,31-tetrathia-7,14,21,28,33,34,35,36-octaazahexacyclo[13.13.4.12,5.19,12.116,19.123,26]hexatriaconta-2(36),9(35), 11,16(34),23(33),25-hexaen-6,13,20,27-tetron [German] [ACD/IUPAC Name]
(1R,4R,5S,8R,15R,18R,19S,22R)-8,22-Diisobutyl-4,18-dimethyl-3,17-dioxa-10,24,30,31-tetrathia-7,14,21,28,33,34,35,36-octaazahexacyclo[13.13.4.12,5.19,12.116,19.123,26]hexatriaconta-2(36),9(35), 11,16(34),23(33),25-hexaene-6,13,20,27-tetrone [ACD/IUPAC Name]
(1R,4R,5S,8R,15R,18R,19S,22R)-8,22-Diisobutyl-4,18-diméthyl-3,17-dioxa-10,24,30,31-tétrathia-7,14,21,28,33,34,35,36-octaazahexacyclo[13.13.4.12,5.19,12.116,19.123,26]hexatriaconta-2(36),9(35), 11,16(34),23(33),25-hexaène-6,13,20,27-tétrone [French] [ACD/IUPAC Name]
3,17-Dioxa-10,24,30,31-tetrathia-7,14,21,28,33,34,35,36-octaazahexacyclo[13.13.4.12,5.19,12.116,19.123,26]hexatriaconta-2(36),9(35),11,16(34),23(33),25-hexaene-6,13,20,27-tetrone, 4,18-dimethy 
l-8,22-bis(2-methylpropyl)-, (1R,4R,5S,8R,15R,18R,19S,22R)- [ACD/Index Name]
ulithiacyclamide
74847-09-9 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 1065.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 156.5±3.0 kJ/mol
Flash Point: 598.2±34.3 °C
Index of Refraction: 1.776
Molar Refractivity: 195.5±0.5 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 0.01
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 2.18
ACD/KOC (pH 5.5): 60.85
ACD/LogD (pH 7.4): 0.75
ACD/BCF (pH 7.4): 2.19
ACD/KOC (pH 7.4): 60.88
Polar Surface Area: 292 Å2
Polarizability: 77.5±0.5 10-24cm3
Surface Tension: 66.0±7.0 dyne/cm
Molar Volume: 467.7±7.0 cm3

Click to predict properties on the Chemicalize site


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