ChemSpider 2D Image | 1-Carbamimidoyl-3-{2-[({(2S,3aR,5S,6S,7aS)-5,6-dihydroxy-1-[(2S)-2-{[(2R)-3-hydroxy-2-methoxypropanoyl]amino}-3-methylbutanoyl]octahydro-1H-indol-2-yl}carbonyl)amino]ethyl}-2,5-dihydro-1H-pyrrolium (n on-preferred name) | C25H43N6O7

1-Carbamimidoyl-3-{2-[({(2S,3aR,5S,6S,7aS)-5,6-dihydroxy-1-[(2S)-2-{[(2R)-3-hydroxy-2-methoxypropanoyl]amino}-3-methylbutanoyl]octahydro-1H-indol-2-yl}carbonyl)amino]ethyl}-2,5-dihydro-1H-pyrrolium (n on-preferred name)

  • Molecular FormulaC25H43N6O7
  • Average mass539.644 Da
  • Monoisotopic mass539.318787 Da
  • ChemSpider ID23106789

  • Charge - Charge

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

1-Carbamimidoyl-3-{2-[({(2S,3aR,5S,6S,7aS)-5,6-dihydroxy-1-[(2S)-2-{[(2R)-3-hydroxy-2-methoxypropanoyl]amino}-3-methylbutanoyl]octahydro-1H-indol-2-yl}carbonyl)amino]ethyl}-2,5-dihydro-1H-pyrrolium (n on-preferred name) [ACD/IUPAC Name]
1-Carbamimidoyl-3-{2-[({(2S,3aR,5S,6S,7aS)-5,6-dihydroxy-1-[(2S)-2-{[(2R)-3-hydroxy-2-methoxypropanoyl]amino}-3-methylbutanoyl]octahydro-1H-indol-2-yl}carbonyl)amino]ethyl}-2,5-dihydro-1H-pyrrolium (n on-preferred name) [German] [ACD/IUPAC Name]
1-Carbamimidoyl-3-{2-[({(2S,3aR,5S,6S,7aS)-5,6-dihydroxy-1-[(2S)-2-{[(2R)-3-hydroxy-2-méthoxypropanoyl]amino}-3-méthylbutanoyl]octahydro-1H-indol-2-yl}carbonyl)amino]éthyl}-2,5-dihydro-1H-pyrrolium (n on-preferred name) [French] [ACD/IUPAC Name]
dysinosin D
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL518066/

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 10
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 203 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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