ChemSpider 2D Image | Squalamine | C34H65N3O5S

Squalamine

  • Molecular FormulaC34H65N3O5S
  • Average mass627.962 Da
  • Monoisotopic mass627.464478 Da
  • ChemSpider ID65407
  • defined stereocentres - 11 of 11 defined stereocentres


More details:






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

(3β,5α,7α,24R)-3-({3-[(4-Aminobutyl)amino]propyl}amino)-7-hydroxycholestan-24-yl hydrogen sulfate [ACD/IUPAC Name]
(3β,5α,7α,24R)-3-({3-[(4-Aminobutyl)amino]propyl}amino)-7-hydroxycholestan-24-ylhydrogensulfat [German] [ACD/IUPAC Name]
148717-90-2 [RN]
Cholestane-7,24-diol, 3-[[3-[(4-aminobutyl)amino]propyl]amino]-, 24-(hydrogen sulfate), (3β,5α,7α,24R)- [ACD/Index Name]
escualamina [Spanish] [INN]
Hydrogénosulfate de (3β,5α,7α,24R)-3-({3-[(4-aminobutyl)amino]propyl}amino)-7-hydroxycholestan-24-yle [French] [ACD/IUPAC Name]
squalamine [French] [INN]
Squalamine [INN] [Wiki]
squalaminum [Latin] [INN]
скваламин [Russian] [INN]
More...

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

8197 [DBID]
F8PO54Z4V7 [DBID]
UNII:F8PO54Z4V7 [DBID]
UNII-F8PO54Z4V7 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      Antibacterial MedChem Express HY-16468
      Antibacterial HBV MedChem Express HY-16468
      Anti-infection MedChem Express HY-16468
      Anti-infection; MedChem Express HY-16468
      Squalamine(MSI-1256) is an aminosterol compound with potent broad spectrum antiviral activity.; IC50 value: ; Target: ; in vitro: squalamine can strongly displace membrane-bound cationic proteins such as Rac1, a ?-GTPase recruited to the inner leaflet of the eukaryotic cytoplasmic membrane for the actin remodeling necessary for endocytosis. MedChem Express HY-16468

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.548
Molar Refractivity: 175.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 6.36
ACD/LogD (pH 5.5): -0.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 142 Å2
Polarizability: 69.6±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 553.0±5.0 cm3

Click to predict properties on the Chemicalize site






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