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Search term: 34237534 (Found by CSID)
ChemSpider 2D Image | N-[(3S,6R,7S,10R,13R,18aS)-10-Benzyl-3-(1H-indol-3-ylmethyl)-6,13-dimethyl-1,4,8,11,14-pentaoxohexadecahydro-6H-pyrrolo[2,1-f][1,4,7,10,13]oxatetraazacyclohexadecin-7-yl]propanamide | C35H42N6O7

N-[(3S,6R,7S,10R,13R,18aS)-10-Benzyl-3-(1H-indol-3-ylmethyl)-6,13-dimethyl-1,4,8,11,14-pentaoxohexadecahydro-6H-pyrrolo[2,1-f][1,4,7,10,13]oxatetraazacyclohexadecin-7-yl]propanamide

  • Molecular FormulaC35H42N6O7
  • Average mass658.744 Da
  • Monoisotopic mass658.311523 Da
  • ChemSpider ID34237534

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

N-[(3S,6R,7S,10R,13R,18aS)-10-Benzyl-3-(1H-indol-3-ylmethyl)-6,13-dimethyl-1,4,8,11,14-pentaoxohexadecahydro-6H-pyrrolo[2,1-f][1,4,7,10,13]oxatetraazacyclohexadecin-7-yl]propanamid [German] [ACD/IUPAC Name]
N-[(3S,6R,7S,10R,13R,18aS)-10-Benzyl-3-(1H-indol-3-ylmethyl)-6,13-dimethyl-1,4,8,11,14-pentaoxohexadecahydro-6H-pyrrolo[2,1-f][1,4,7,10,13]oxatetraazacyclohexadecin-7-yl]propanamide [ACD/IUPAC Name]
N-[(3S,6R,7S,10R,13R,18aS)-10-Benzyl-3-(1H-indol-3-ylméthyl)-6,13-diméthyl-1,4,8,11,14-pentaoxohexadécahydro-6H-pyrrolo[2,1-f][1,4,7,10,13]oxatétraazacyclohexadécin-7-yl]propanamide [French] [ACD/IUPAC Name]
Propanamide, N-[(3S,6R,7S,10R,13R,18aS)-hexadecahydro-3-(1H-indol-3-ylmethyl)-6,13-dimethyl-1,4,8,11,14-pentaoxo-10-(phenylmethyl)-6H-pyrrolo[2,1-f][1,4,7,10,13]oxatetraazacyclohexadecin-7-yl]- [ACD/Index Name]
Chaiyaphumine C

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1100.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 162.1±3.0 kJ/mol
Flash Point: 619.1±34.3 °C
Index of Refraction: 1.638
Molar Refractivity: 176.9±0.4 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -0.64
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 4.25
ACD/KOC (pH 5.5): 97.97
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 4.25
ACD/KOC (pH 7.4): 97.97
Polar Surface Area: 179 Å2
Polarizability: 70.1±0.5 10-24cm3
Surface Tension: 66.3±5.0 dyne/cm
Molar Volume: 492.2±5.0 cm3

Click to predict properties on the Chemicalize site


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