Found 9 results

Search term: MF = 'C_{32}H_{46}N_{6}O_{9}'
ChemSpider 2D Image | Methyl (2S,5S,8S,11S,14S,16Z)-8-(2-amino-2-oxoethyl)-2-(4-hydroxybenzyl)-5,11-diisopropyl-3,6,9,12,20-pentaoxo-1,4,7,10,13-pentaazacycloicos-16-ene-14-carboxylate | C32H46N6O9

Methyl (2S,5S,8S,11S,14S,16Z)-8-(2-amino-2-oxoethyl)-2-(4-hydroxybenzyl)-5,11-diisopropyl-3,6,9,12,20-pentaoxo-1,4,7,10,13-pentaazacycloicos-16-ene-14-carboxylate

  • Molecular FormulaC32H46N6O9
  • Average mass658.742 Da
  • Monoisotopic mass658.332642 Da
  • ChemSpider ID9290128

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2S,5S,8S,11S,14S,16Z)-8-(2-Amino-2-oxoéthyl)-2-(4-hydroxybenzyl)-5,11-diisopropyl-3,6,9,12,20-pentaoxo-1,4,7,10,13-pentaazacycloicos-16-ène-14-carboxylate de méthyle [French] [ACD/IUPAC Name]
1,4,7,10,13-Pentaazacycloeicos-16-ene-14-carboxylic acid, 8-(2-amino-2-oxoethyl)-2-[(4-hydroxyphenyl)methyl]-5,11-bis(1-methylethyl)-3,6,9,12,20-pentaoxo-, methyl ester, (2S,5S,8S,11S,14S,16Z)- [ACD/Index Name]
Methyl (2S,5S,8S,11S,14S,16Z)-8-(2-amino-2-oxoethyl)-2-(4-hydroxybenzyl)-5,11-diisopropyl-3,6,9,12,20-pentaoxo-1,4,7,10,13-pentaazacycloicos-16-ene-14-carboxylate [ACD/IUPAC Name]
Methyl-(2S,5S,8S,11S,14S,16Z)-8-(2-amino-2-oxoethyl)-2-(4-hydroxybenzyl)-5,11-diisopropyl-3,6,9,12,20-pentaoxo-1,4,7,10,13-pentaazacycloicos-16-en-14-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1085.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 164.8±3.0 kJ/mol
Flash Point: 610.1±34.3 °C
Index of Refraction: 1.506
Molar Refractivity: 168.8±0.3 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -1.35
ACD/LogD (pH 5.5): -0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.65
ACD/LogD (pH 7.4): -0.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.61
Polar Surface Area: 235 Å2
Polarizability: 66.9±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 567.7±3.0 cm3

Click to predict properties on the Chemicalize site


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