ChemSpider 2D Image | flotegatide (18F) | C41H6018FN13O13

flotegatide (18F)

  • Molecular FormulaC41H6018FN13O13
  • Average mass960.995 Da
  • Monoisotopic mass960.444275 Da
  • ChemSpider ID44241186

  • defined stereocentres - 9 of 9 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

{(2S,5R,8S,11S)-5-Benzyl-11-(3-carbamimidamidopropyl)-8-[4-({[(2S,3R,4R,5R,6S)-6-{[({4-[3-(18F)fluoropropyl]-1H-1,2,3-triazol-1-yl}acetyl)amino]methyl}-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]carbo ;nyl}amino)butyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentaazacyclopentadecan-2-yl}acetic acid (non-preferred name) [ACD/IUPAC Name]
{(2S,5R,8S,11S)-5-Benzyl-11-(3-carbamimidamidopropyl)-8-[4-({[(2S,3R,4R,5R,6S)-6-{[({4-[3-(18F)fluorpropyl]-1H-1,2,3-triazol-1-yl}acetyl)amino]methyl}-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]carbon ;yl}amino)butyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentaazacyclopentadecan-2-yl}essigsäure (non-preferred name) [German] [ACD/IUPAC Name]
1010702-75-6 [RN]
Acide {(2S,5R,8S,11S)-5-benzyl-11-(3-carbamimidamidopropyl)-8-[4-({[(2S,3R,4R,5R,6S)-6-{[(2-{4-[3-(18F)fluoropropyl]-1H-1,2,3-triazol-1-yl}acétyl)amino]méthyl}-3,4,5-trihydroxytétrahydro-2H-pyran-2- yl]carbonyl}amino)butyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentaazacyclopentadécan-2-yl}acétique (non-preferred name) [French] [ACD/IUPAC Name]
flotegatida (18F) [Spanish] [INN]
flotegatide (18F) [INN]
flotégatide (18F) [French] [INN]
flotegatidum (18F) [Latin] [INN]
Q1MCS0I4BE
флотегатид (18F) [Russian] [INN]
More...

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

9722 [DBID]

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: 1.692
Molar Refractivity: 231.1±0.5 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#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:
Polarizability: 91.6±0.5 10-24cm3
Surface Tension: 70.9±7.0 dyne/cm
Molar Volume: 603.6±7.0 cm3

Click to predict properties on the Chemicalize site


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