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Search term: 65323298 (Found by CSID)
ChemSpider 2D Image | imaqobactin | C41H71N7O17

imaqobactin

  • Molecular FormulaC41H71N7O17
  • Average mass934.039 Da
  • Monoisotopic mass933.490662 Da
  • ChemSpider ID65323298

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(2R)-{(3S,6S,9R)-9-[(N-{(2S,3S,4S)-4-(Dodecanoylamino)-7-[formyl(hydroxy)amino]-3-hydroxy-2-methylheptanoyl}-L-seryl)amino]-13-hydroxy-6-[(1R)-1-hydroxyethyl]-16-methyl-2,5,8,14-tetraoxo-1-oxa-4,7,13- triazacyclohexadecan-3-yl}(hydroxy)acetic acid [ACD/IUPAC Name]
(2R)-{(3S,6S,9R)-9-[(N-{(2S,3S,4S)-4-(Dodecanoylamino)-7-[formyl(hydroxy)amino]-3-hydroxy-2-methylheptanoyl}-L-seryl)amino]-13-hydroxy-6-[(1R)-1-hydroxyethyl]-16-methyl-2,5,8,14-tetraoxo-1-oxa-4,7,13- triazacyclohexadecan-3-yl}(hydroxy)essigsäure [German] [ACD/IUPAC Name]
Acide (2R)-{(3S,6S,9R)-9-[(N-{(2S,3S,4S)-4-(dodecanoylamino)-7-[formyl(hydroxy)amino]-3-hydroxy-2-méthylheptanoyl}-L-séryl)amino]-13-hydroxy-6-[(1R)-1-hydroxyéthyl]-16-méthyl-2,5,8,14-tétraoxo-1-oxa-4 ,7,13-triazacyclohexadécan-3-yl}(hydroxy)acétique [French] [ACD/IUPAC Name]
imaqobactin

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.580
Molar Refractivity: 229.4±0.4 cm3
#H bond acceptors: 24
#H bond donors: 12
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 3
ACD/LogP: -1.73
ACD/LogD (pH 5.5): -3.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 371 Å2
Polarizability: 90.9±0.5 10-24cm3
Surface Tension: 72.0±5.0 dyne/cm
Molar Volume: 688.9±5.0 cm3

Click to predict properties on the Chemicalize site


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