Found 1 result

Search term: GILYJCVMIMACCR (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1-[(10S,11S,12S,13S)-12,13-Dihydroxy-10-isobutyl-11-methoxy-9-(methoxyacetyl)-1-oxa-6,9-diazacyclotetradecan-6-yl]-3-(2-isopropyl-1H-imidazol-1-yl)-1-propanone | C28H50N4O7

1-[(10S,11S,12S,13S)-12,13-Dihydroxy-10-isobutyl-11-methoxy-9-(methoxyacetyl)-1-oxa-6,9-diazacyclotetradecan-6-yl]-3-(2-isopropyl-1H-imidazol-1-yl)-1-propanone

  • Molecular FormulaC28H50N4O7
  • Average mass554.719 Da
  • Monoisotopic mass554.367920 Da
  • ChemSpider ID80829978

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-[(10S,11S,12S,13S)-12,13-Dihydroxy-10-isobutyl-11-méthoxy-9-(2-méthoxyacétyl)-1-oxa-6,9-diazacyclotétradécan-6-yl]-3-(2-isopropyl-1H-imidazol-1-yl)-1-propanone [French] [ACD/IUPAC Name]
1-[(10S,11S,12S,13S)-12,13-Dihydroxy-10-isobutyl-11-methoxy-9-(methoxyacetyl)-1-oxa-6,9-diazacyclotetradecan-6-yl]-3-(2-isopropyl-1H-imidazol-1-yl)-1-propanon [German] [ACD/IUPAC Name]
1-[(10S,11S,12S,13S)-12,13-Dihydroxy-10-isobutyl-11-methoxy-9-(methoxyacetyl)-1-oxa-6,9-diazacyclotetradecan-6-yl]-3-(2-isopropyl-1H-imidazol-1-yl)-1-propanone [ACD/IUPAC Name]
1-Propanone, 1-[(10S,11S,12S,13S)-12,13-dihydroxy-11-methoxy-9-(2-methoxyacetyl)-10-(2-methylpropyl)-1-oxa-6,9-diazacyclotetradec-6-yl]-3-[2-(1-methylethyl)-1H-imidazol-1-yl]- [ACD/Index 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: 742.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.6±3.0 kJ/mol
Flash Point: 402.8±32.9 °C
Index of Refraction: 1.547
Molar Refractivity: 147.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.54
ACD/LogD (pH 5.5): 0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.30
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 8.21
ACD/KOC (pH 7.4): 131.87
Polar Surface Area: 127 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 41.5±7.0 dyne/cm
Molar Volume: 466.1±7.0 cm3

Click to predict properties on the Chemicalize site


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