Found 3 results

Search term: MF = 'C_{41}H_{67}N_{11}O_{12}'
ChemSpider 2D Image | (2S,5S,13S,16S,19S,22S,25S)-11,25-Diamino-19-(4-aminobutyl)-5-(2-amino-2-oxoethyl)-13-benzyl-22-(hydroxymethyl)-16-isobutyl-2,27-dimethyl-4,7,10,12,15,18,21,24-octaoxo-3,6,11,14,17,20,23-heptaazaoctac osan-1-oic acid | C41H67N11O12

(2S,5S,13S,16S,19S,22S,25S)-11,25-Diamino-19-(4-aminobutyl)-5-(2-amino-2-oxoethyl)-13-benzyl-22-(hydroxymethyl)-16-isobutyl-2,27-dimethyl-4,7,10,12,15,18,21,24-octaoxo-3,6,11,14,17,20,23-heptaazaoctac osan-1-oic acid

  • Molecular FormulaC41H67N11O12
  • Average mass906.037 Da
  • Monoisotopic mass905.497070 Da
  • ChemSpider ID8345510

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2S,5S,13S,16S,19S,22S,25S)-11,25-Diamino-19-(4-aminobutyl)-5-(2-amino-2-oxoethyl)-13-benzyl-22-(hydroxymethyl)-16-isobutyl-2,27-dimethyl-4,7,10,12,15,18,21,24-octaoxo-3,6,11,14,17,20,23-heptaazaoctac osan-1-oic acid [ACD/IUPAC Name]
(2S,5S,13S,16S,19S,22S,25S)-11,25-Diamino-19-(4-aminobutyl)-5-(2-amino-2-oxoethyl)-13-benzyl-22-(hydroxymethyl)-16-isobutyl-2,27-dimethyl-4,7,10,12,15,18,21,24-octaoxo-3,6,11,14,17,20,23-heptaazaoctac osan-1-säure [German] [ACD/IUPAC Name]
Acide (2S,5S,13S,16S,19S,22S,25S)-11,25-diamino-19-(4-aminobutyl)-5-(2-amino-2-oxoéthyl)-13-benzyl-22-(hydroxyméthyl)-16-isobutyl-2,27-diméthyl-4,7,10,12,15,18,21,24-octaoxo-3,6,11,14,17,20,23-heptaaz aoctacosan-1-oïque [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.563
Molar Refractivity: 231.1±0.3 cm3
#H bond acceptors: 23
#H bond donors: 16
#Freely Rotating Bonds: 29
#Rule of 5 Violations: 3
ACD/LogP: -0.77
ACD/LogD (pH 5.5): -5.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 391 Å2
Polarizability: 91.6±0.5 10-24cm3
Surface Tension: 58.4±3.0 dyne/cm
Molar Volume: 711.4±3.0 cm3

Click to predict properties on the Chemicalize site


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