ChemSpider 2D Image | 5-[1-(4-Carbamimidamidobutyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-2-[2-(1,2,5,5-tetramethyl-1,2,3,4,4a,5,6,7-octahydro-1-naphthalenyl)ethyl]pentyl hydrogen sulfate | C30H52N4O5S

5-[1-(4-Carbamimidamidobutyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-2-[2-(1,2,5,5-tetramethyl-1,2,3,4,4a,5,6,7-octahydro-1-naphthalenyl)ethyl]pentyl hydrogen sulfate

  • Molecular FormulaC30H52N4O5S
  • Average mass580.823 Da
  • Monoisotopic mass580.365845 Da
  • ChemSpider ID24618787
  • defined stereocentres - 3 of 4 defined stereocentres


More details:






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

5-[1-(4-Carbamimidamidobutyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-2-[2-(1,2,5,5-tetramethyl-1,2,3,4,4a,5,6,7-octahydro-1-naphthalenyl)ethyl]pentyl hydrogen sulfate [ACD/IUPAC Name]
5-[1-(4-Carbamimidamidobutyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-2-[2-(1,2,5,5-tetramethyl-1,2,3,4,4a,5,6,7-octahydro-1-naphthalinyl)ethyl]pentylhydrogensulfat [German] [ACD/IUPAC Name]
Guanidine, N-[4-[2,5-dihydro-3-[6-(1,2,3,4,4a,5,6,7-octahydro-1,2,5,5-tetramethyl-1-naphthalenyl)-4-[(sulfooxy)methyl]hexyl]-2-oxo-1H-pyrrol-1-yl]butyl]- [ACD/Index Name]
Hydrogénosulfate de 5-[1-(4-carbamimidamidobutyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-2-[2-(1,2,5,5-tétraméthyl-1,2,3,4,4a,5,6,7-octahydro-1-naphtalényl)éthyl]pentyle [French] [ACD/IUPAC Name]
fasciospongine C

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.588
Molar Refractivity: 157.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 5.84
ACD/LogD (pH 5.5): 1.78
ACD/BCF (pH 5.5): 3.31
ACD/KOC (pH 5.5): 15.98
ACD/LogD (pH 7.4): 1.78
ACD/BCF (pH 7.4): 3.31
ACD/KOC (pH 7.4): 15.98
Polar Surface Area: 154 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 47.8±7.0 dyne/cm
Molar Volume: 466.9±7.0 cm3

Click to predict properties on the Chemicalize site






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