ChemSpider 2D Image | (1Z,3S,4Z,6S,7Z,9S,10Z,12S,13Z,15S)-3,6-Di[(2S)-2-butanyl]-9,12,15-triisobutyl-1,4,7,10,13-pentaazacyclopentadeca-1,4,7,10,13-pentaene-2,5,8,11,14-pentol | C30H55N5O5

(1Z,3S,4Z,6S,7Z,9S,10Z,12S,13Z,15S)-3,6-Di[(2S)-2-butanyl]-9,12,15-triisobutyl-1,4,7,10,13-pentaazacyclopentadeca-1,4,7,10,13-pentaene-2,5,8,11,14-pentol

  • Molecular FormulaC30H55N5O5
  • Average mass565.788 Da
  • Monoisotopic mass565.420349 Da
  • ChemSpider ID34981514

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1Z,3S,4Z,6S,7Z,9S,10Z,12S,13Z,15S)-3,6-Di[(2S)-2-butanyl]-9,12,15-triisobutyl-1,4,7,10,13-pentaazacyclopentadeca-1,4,7,10,13-pentaen-2,5,8,11,14-pentol [German] [ACD/IUPAC Name]
(1Z,3S,4Z,6S,7Z,9S,10Z,12S,13Z,15S)-3,6-Di[(2S)-2-butanyl]-9,12,15-triisobutyl-1,4,7,10,13-pentaazacyclopentadeca-1,4,7,10,13-pentaene-2,5,8,11,14-pentol [ACD/IUPAC Name]
(1Z,3S,4Z,6S,7Z,9S,10Z,12S,13Z,15S)-3,6-Di[(2S)-2-butanyl]-9,12,15-triisobutyl-1,4,7,10,13-pentaazacyclopentadéca-1,4,7,10,13-pentaène-2,5,8,11,14-pentol [French] [ACD/IUPAC Name]
1,4,7,10,13-Pentaazacyclopentadeca-1,4,7,10,13-pentaene-2,5,8,11,14-pentol, 3,6-bis[(1S)-1-methylpropyl]-9,12,15-tris(2-methylpropyl)-, (1Z,3S,4Z,6S,7Z,9S,10Z,12S,13Z,15S)- [ACD/Index Name]
clavatustide C

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

Density: 1.2±0.1 g/cm3
Boiling Point: 758.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 126.0±6.0 kJ/mol
Flash Point: 531.0±24.9 °C
Index of Refraction: 1.553
Molar Refractivity: 155.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 63.70
ACD/KOC (pH 5.5): 673.31
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 54.28
ACD/KOC (pH 7.4): 573.76
Polar Surface Area: 163 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 37.9±7.0 dyne/cm
Molar Volume: 487.5±7.0 cm3

Click to predict properties on the Chemicalize site


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