ChemSpider 2D Image | homodestcardin | C32H55N5O7

homodestcardin

  • Molecular FormulaC32H55N5O7
  • Average mass621.808 Da
  • Monoisotopic mass621.410156 Da
  • ChemSpider ID29213647

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3S,6S,9S,16R,21S,21aS)-3,6-Di[(2S)-2-butanyl]-16-isobutyl-5,8,9,21-tetramethyldodecahydropyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecin-1,4,7,10,14,17(11H,16H)-hexon [German] [ACD/IUPAC Name]
(3S,6S,9S,16R,21S,21aS)-3,6-Di[(2S)-2-butanyl]-16-isobutyl-5,8,9,21-tetramethyldodecahydropyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecine-1,4,7,10,14,17(11H,16H)-hexone [ACD/IUPAC Name]
(3S,6S,9S,16R,21S,21aS)-3,6-Di[(2S)-2-butanyl]-16-isobutyl-5,8,9,21-tétraméthyldodécahydropyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadécine-1,4,7,10,14,17(11H,16H)-hexone [French] [ACD/IUPAC Name]
917382-84-4 [RN]
homodestcardin
Pyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecine-1,4,7,10,14,17(11H,16H)-hexone, dodecahydro-5,8,9,21-tetramethyl-3,6-bis[(1S)-1-methylpropyl]-16-(2-methylpropyl)-, (3S,6S,9S,16R,21S,21aS)- [ACD/Index Name]
cyclo[N-methyl-L-alanyl-β-alanyl-(2R)-2-hydroxy-4-methylpentanoyl-(3S)-3-methyl-L-prolyl-L-isoleucyl-N-methyl-L-isoleucyl]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 879.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 127.8±3.0 kJ/mol
Flash Point: 485.5±34.3 °C
Index of Refraction: 1.532
Molar Refractivity: 167.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 0.17
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.84
ACD/KOC (pH 5.5): 53.75
ACD/LogD (pH 7.4): 0.65
ACD/BCF (pH 7.4): 1.84
ACD/KOC (pH 7.4): 53.75
Polar Surface Area: 145 Å2
Polarizability: 66.3±0.5 10-24cm3
Surface Tension: 48.1±5.0 dyne/cm
Molar Volume: 539.7±5.0 cm3

Click to predict properties on the Chemicalize site


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