ChemSpider 2D Image | (R)-3-((2s,3r)-1-((2s,3ar,5s,6s,7as)-2-(2-(1-Carbamimidoyl-2,5-Dihydro-1h-Pyrrol-3-Yl)ethylcarbamoyl)-5,6-Dihydroxyoctahydro-1h-Indol-1-Yl)-3-Chloro-4-Methyl-1-Oxopentan-2-Ylamino)-2-Methoxy-3-Oxopropyl Hydrogen Sulfate | C26H43ClN6O10S

(R)-3-((2s,3r)-1-((2s,3ar,5s,6s,7as)-2-(2-(1-Carbamimidoyl-2,5-Dihydro-1h-Pyrrol-3-Yl)ethylcarbamoyl)-5,6-Dihydroxyoctahydro-1h-Indol-1-Yl)-3-Chloro-4-Methyl-1-Oxopentan-2-Ylamino)-2-Methoxy-3-Oxopropyl Hydrogen Sulfate

  • Molecular FormulaC26H43ClN6O10S
  • Average mass667.172 Da
  • Monoisotopic mass666.244995 Da
  • ChemSpider ID25057960

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2R)-3-({(2S,3R)-1-[(2S,3aR,5S,6S,7aS)-2-{[2-(1-Carbamimidoyl-2,5-dihydro-1H-pyrrol-3-yl)ethyl]carbamoyl}-5,6-dihydroxyoctahydro-1H-indol-1-yl]-3-chlor-4-methyl-1-oxo-2-pentanyl}amino)-2-methoxy-3-oxo propylhydrogensulfat [German] [ACD/IUPAC Name]
(2R)-3-({(2S,3R)-1-[(2S,3aR,5S,6S,7aS)-2-{[2-(1-Carbamimidoyl-2,5-dihydro-1H-pyrrol-3-yl)ethyl]carbamoyl}-5,6-dihydroxyoctahydro-1H-indol-1-yl]-3-chloro-4-methyl-1-oxo-2-pentanyl}amino)-2-methoxy-3-ox opropyl hydrogen sulfate [ACD/IUPAC Name]
(R)-3-((2s,3r)-1-((2s,3ar,5s,6s,7as)-2-(2-(1-Carbamimidoyl-2,5-Dihydro-1h-Pyrrol-3-Yl)ethylcarbamoyl)-5,6-Dihydroxyoctahydro-1h-Indol-1-Yl)-3-Chloro-4-Methyl-1-Oxopentan-2-Ylamino)-2-Methoxy-3-Oxopropyl Hydrogen Sulfate
Hydrogénosulfate de (2R)-3-({(2S,3R)-1-[(2S,3aR,5S,6S,7aS)-2-{[2-(1-carbamimidoyl-2,5-dihydro-1H-pyrrol-3-yl)éthyl]carbamoyl}-5,6-dihydroxyoctahydro-1H-indol-1-yl]-3-chloro-4-méthyl-1-oxo-2-pentanyl}a mino)-2-méthoxy-3-oxopropyle [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.670
Molar Refractivity: 154.3±0.5 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -1.64
ACD/LogD (pH 5.5): -4.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 253 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 65.8±7.0 dyne/cm
Molar Volume: 412.8±7.0 cm3

Click to predict properties on the Chemicalize site


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