ChemSpider 2D Image | 2-Methyl-2-propanyl (3R,8R,18S)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-2,10-dioxo-18-propyl-1-oxa-9-azacyclooctadec-5-yne-8-carboxylate | C29H48N2O7

2-Methyl-2-propanyl (3R,8R,18S)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-2,10-dioxo-18-propyl-1-oxa-9-azacyclooctadec-5-yne-8-carboxylate

  • Molecular FormulaC29H48N2O7
  • Average mass536.701 Da
  • Monoisotopic mass536.346130 Da
  • ChemSpider ID26588747

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3R,8R,18S)-3-({[(2-Méthyl-2-propanyl)oxy]carbonyl}amino)-2,10-dioxo-18-propyl-1-oxa-9-azacyclooctadéc-5-yne-8-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Oxa-9-azacyclooctadec-5-yne-8-carboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2,10-dioxo-18-propyl-, 1,1-dimethylethyl ester, (3R,8R,18S)- [ACD/Index Name]
2-Methyl-2-propanyl (3R,8R,18S)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-2,10-dioxo-18-propyl-1-oxa-9-azacyclooctadec-5-yne-8-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3R,8R,18S)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-2,10-dioxo-18-propyl-1-oxa-9-azacyclooctadec-5-in-8-carboxylat [German] [ACD/IUPAC 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: 702.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.8±3.0 kJ/mol
Flash Point: 378.4±32.9 °C
Index of Refraction: 1.504
Molar Refractivity: 145.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 4.57
ACD/BCF (pH 5.5): 1763.10
ACD/KOC (pH 5.5): 7332.99
ACD/LogD (pH 7.4): 4.57
ACD/BCF (pH 7.4): 1761.94
ACD/KOC (pH 7.4): 7328.16
Polar Surface Area: 120 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 44.2±5.0 dyne/cm
Molar Volume: 490.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement