ChemSpider 2D Image | (4R,10S,16R)-16-Acetamido-13-(1H-imidazol-5-ylmethyl)-7-isopropyl-10-methyl-6,9,12,15-tetraoxo-1,2-dithia-5,8,11,14-tetraazacycloheptadecane-4-carboxamide | C22H34N8O6S2

(4R,10S,16R)-16-Acetamido-13-(1H-imidazol-5-ylmethyl)-7-isopropyl-10-methyl-6,9,12,15-tetraoxo-1,2-dithia-5,8,11,14-tetraazacycloheptadecane-4-carboxamide

  • Molecular FormulaC22H34N8O6S2
  • Average mass570.685 Da
  • Monoisotopic mass570.204285 Da
  • ChemSpider ID96437086

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(4R,10S,16R)-16-Acetamido-13-(1H-imidazol-5-ylmethyl)-7-isopropyl-10-methyl-6,9,12,15-tetraoxo-1,2-dithia-5,8,11,14-tetraazacycloheptadecan-4-carboxamid [German] [ACD/IUPAC Name]
(4R,10S,16R)-16-Acetamido-13-(1H-imidazol-5-ylmethyl)-7-isopropyl-10-methyl-6,9,12,15-tetraoxo-1,2-dithia-5,8,11,14-tetraazacycloheptadecane-4-carboxamide [ACD/IUPAC Name]
(4R,10S,16R)-16-Acétamido-13-(1H-imidazol-5-ylméthyl)-7-isopropyl-10-méthyl-6,9,12,15-tétraoxo-1,2-dithia-5,8,11,14-tétraazacycloheptadécane-4-carboxamide [French] [ACD/IUPAC Name]
1,2-Dithia-5,8,11,14-tetraazacycloheptadecane-4-carboxamide, 16-(acetylamino)-13-(1H-imidazol-5-ylmethyl)-10-methyl-7-(1-methylethyl)-6,9,12,15-tetraoxo-, (4R,10S,16R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1183.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 175.9±3.0 kJ/mol
Flash Point: 669.5±34.3 °C
Index of Refraction: 1.619
Molar Refractivity: 142.9±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: -2.35
ACD/LogD (pH 5.5): -3.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.83
Polar Surface Area: 268 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 72.1±5.0 dyne/cm
Molar Volume: 407.4±5.0 cm3

Click to predict properties on the Chemicalize site


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