Found 1 result

Search term: 28650731 (Found by CSID)
ChemSpider 2D Image | (2S,3aS,6R,7aS)-N-(4-Carbamimidamidobutyl)-1-[(2R,3S)-2-{[(2R)-3-(3,5-dibromo-4-hydroxyphenyl)-2-hydroxypropanoyl]amino}-3-methylpentanoyl]-6-hydroxyoctahydro-1H-indole-2-carboxamide (non-preferred na me) | C29H44Br2N6O6

(2S,3aS,6R,7aS)-N-(4-Carbamimidamidobutyl)-1-[(2R,3S)-2-{[(2R)-3-(3,5-dibromo-4-hydroxyphenyl)-2-hydroxypropanoyl]amino}-3-methylpentanoyl]-6-hydroxyoctahydro-1H-indole-2-carboxamide (non-preferred na me)

  • Molecular FormulaC29H44Br2N6O6
  • Average mass732.504 Da
  • Monoisotopic mass730.168884 Da
  • ChemSpider ID28650731

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2S,3aS,6R,7aS)-N-(4-Carbamimidamidobutyl)-1-[(2R,3S)-2-{[(2R)-3-(3,5-dibrom-4-hydroxyphenyl)-2-hydroxypropanoyl]amino}-3-methylpentanoyl]-6-hydroxyoctahydro-1H-indol-2-carboxamid [German] [ACD/IUPAC Name]
(2S,3aS,6R,7aS)-N-(4-Carbamimidamidobutyl)-1-[(2R,3S)-2-{[(2R)-3-(3,5-dibromo-4-hydroxyphenyl)-2-hydroxypropanoyl]amino}-3-methylpentanoyl]-6-hydroxyoctahydro-1H-indole-2-carboxamide (non-preferred na me) [ACD/IUPAC Name]
(2S,3aS,6R,7aS)-N-(4-Carbamimidamidobutyl)-1-[(2R,3S)-2-{[(2R)-3-(3,5-dibromo-4-hydroxyphényl)-2-hydroxypropanoyl]amino}-3-méthylpentanoyl]-6-hydroxyoctahydro-1H-indole-2-carboxamide (non-preferred na me) [French] [ACD/IUPAC Name]
Aeruginosin GE730

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.678
Molar Refractivity: 165.4±0.5 cm3
#H bond acceptors: 12
#H bond donors: 9
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 2.16
ACD/LogD (pH 5.5): 0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.74
ACD/LogD (pH 7.4): 0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.35
Polar Surface Area: 201 Å2
Polarizability: 65.6±0.5 10-24cm3
Surface Tension: 60.6±7.0 dyne/cm
Molar Volume: 438.5±7.0 cm3

Click to predict properties on the Chemicalize site


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