Found 11 results

Search term: MF = 'C_{52}H_{92}N_{8}O_{12}'
ChemSpider 2D Image | [(3S,6R,9S,12S,15R,18S,21S)-21-(3-Amino-3-oxopropyl)-6,15,18-triisobutyl-3,12-diisopropyl-25-(9-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-9-yl]acetic acid | C52H92N8O12

[(3S,6R,9S,12S,15R,18S,21S)-21-(3-Amino-3-oxopropyl)-6,15,18-triisobutyl-3,12-diisopropyl-25-(9-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-9-yl]acetic acid

  • Molecular FormulaC52H92N8O12
  • Average mass1021.333 Da
  • Monoisotopic mass1020.683472 Da
  • ChemSpider ID78436321

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

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

[(3S,6R,9S,12S,15R,18S,21S)-21-(3-Amino-3-oxopropyl)-6,15,18-triisobutyl-3,12-diisopropyl-25-(9-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-9-yl]acetic acid [ACD/IUPAC Name]
[(3S,6R,9S,12S,15R,18S,21S)-21-(3-Amino-3-oxopropyl)-6,15,18-triisobutyl-3,12-diisopropyl-25-(9-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-9-yl]essigs äure [German] [ACD/IUPAC Name]
1-Oxa-4,7,10,13,16,19,22-heptaazacyclopentacosane-9-acetic acid, 21-(3-amino-3-oxopropyl)-3,12-bis(1-methylethyl)-6,15,18-tris(2-methylpropyl)-25-(9-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-, (3S,6 R,9S,12S,15R,18S,21S)- [ACD/Index Name]
Acide [(3S,6R,9S,12S,15R,18S,21S)-21-(3-amino-3-oxopropyl)-6,15,18-triisobutyl-3,12-diisopropyl-25-(9-méthylundécyl)-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-9-yl] acétique [French] [ACD/IUPAC Name]
[Val7]lichenysin G15

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

Density: 1.0±0.1 g/cm3
Boiling Point: 1281.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 207.3±6.0 kJ/mol
Flash Point: 728.6±34.3 °C
Index of Refraction: 1.464
Molar Refractivity: 271.9±0.3 cm3
#H bond acceptors: 20
#H bond donors: 10
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 3
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 13.35
ACD/KOC (pH 5.5): 82.89
ACD/LogD (pH 7.4): 0.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.54
Polar Surface Area: 310 Å2
Polarizability: 107.8±0.5 10-24cm3
Surface Tension: 33.5±3.0 dyne/cm
Molar Volume: 985.9±3.0 cm3

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