ChemSpider 2D Image | unguisin A | C40H54N8O7

unguisin A

  • Molecular FormulaC40H54N8O7
  • Average mass758.906 Da
  • Monoisotopic mass758.411560 Da
  • ChemSpider ID8828057

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3R,6R,9R,12S,15R,18R)-12-Benzyl-3-(1H-indol-3-ylmethyl)-9,15-diisopropyl-6,18-dimethyl-1,4,7,10,13,16,19-heptaazacyclotricosan-2,5,8,11,14,17,20-hepton [German] [ACD/IUPAC Name]
(3R,6R,9R,12S,15R,18R)-12-Benzyl-3-(1H-indol-3-ylmethyl)-9,15-diisopropyl-6,18-dimethyl-1,4,7,10,13,16,19-heptaazacyclotricosane-2,5,8,11,14,17,20-heptone [ACD/IUPAC Name]
(3R,6R,9R,12S,15R,18R)-12-Benzyl-3-(1H-indol-3-ylméthyl)-9,15-diisopropyl-6,18-diméthyl-1,4,7,10,13,16,19-heptaazacyclotricosane-2,5,8,11,14,17,20-heptone [French] [ACD/IUPAC Name]
1,4,7,10,13,16,19-Heptaazacyclotricosane-2,5,8,11,14,17,20-heptone, 3-(1H-indol-3-ylmethyl)-6,18-dimethyl-9,15-bis(1-methylethyl)-12-(phenylmethyl)-, (3R,6R,9R,12S,15R,18R)- [ACD/Index Name]
226956-06-5 [RN]
unguisin A
(3R,6R,9R,12S,15R,18R)-12-Benzyl-3-(1H-indol-3-ylmethyl)-6,18-dimethyl-9,15-di(propan-2-yl)-1,4,7,10,13,16,19-heptazacyclotricosane-2,5,8,11,14,17,20-heptone
cyclo(D-alanyl-D-tryptophyl-4-aminobutanoyl-D-alanyl-D-valyl-L-phenylalanyl-D-valyl)

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

Density: 1.1±0.1 g/cm3
Boiling Point: 1202.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 179.2±3.0 kJ/mol
Flash Point: 681.3±34.3 °C
Index of Refraction: 1.528
Molar Refractivity: 205.9±0.3 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 0.68
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 11.66
ACD/KOC (pH 5.5): 201.78
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 11.66
ACD/KOC (pH 7.4): 201.78
Polar Surface Area: 219 Å2
Polarizability: 81.6±0.5 10-24cm3
Surface Tension: 39.2±3.0 dyne/cm
Molar Volume: 669.0±3.0 cm3

Click to predict properties on the Chemicalize site


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