Found 372 results

Search term: MF = 'C_{31}H_{41}N_{5}O_{5}'
ChemSpider 2D Image | (2S,5R,8R)-14-Benzoyl-2-benzyl-8-isopropyl-5-methyl-1,4,7,10,14-pentaazacyclooctadecane-3,6,9,18-tetrone | C31H41N5O5

(2S,5R,8R)-14-Benzoyl-2-benzyl-8-isopropyl-5-methyl-1,4,7,10,14-pentaazacyclooctadecane-3,6,9,18-tetrone

  • Molecular FormulaC31H41N5O5
  • Average mass563.688 Da
  • Monoisotopic mass563.310791 Da
  • ChemSpider ID71348329

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,5R,8R)-14-Benzoyl-2-benzyl-8-isopropyl-5-methyl-1,4,7,10,14-pentaazacyclooctadecan-3,6,9,18-tetron [German] [ACD/IUPAC Name]
(2S,5R,8R)-14-Benzoyl-2-benzyl-8-isopropyl-5-methyl-1,4,7,10,14-pentaazacyclooctadecane-3,6,9,18-tetrone [ACD/IUPAC Name]
(2S,5R,8R)-14-Benzoyl-2-benzyl-8-isopropyl-5-méthyl-1,4,7,10,14-pentaazacyclooctadécane-3,6,9,18-tétrone [French] [ACD/IUPAC Name]
1,4,7,10,14-Pentaazacyclooctadecane-3,6,9,18-tetrone, 14-benzoyl-5-methyl-8-(1-methylethyl)-2-(phenylmethyl)-, (2S,5R,8R)- [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: 916.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.4±3.0 kJ/mol
Flash Point: 508.4±34.3 °C
Index of Refraction: 1.522
Molar Refractivity: 154.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 0.26
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 4.97
ACD/KOC (pH 5.5): 109.68
ACD/LogD (pH 7.4): 1.22
ACD/BCF (pH 7.4): 4.97
ACD/KOC (pH 7.4): 109.68
Polar Surface Area: 137 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 507.9±3.0 cm3

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