Found 7 results

Search term: MF = 'C_{26}H_{46}N_{6}O_{9}'
ChemSpider 2D Image | (4S,7S,10S,11S,15S)-15-{[(2S)-1-Amino-1-oxo-2-propanyl]carbamoyl}-11-hydroxy-10-isobutyl-7-isopropyl-4-methyl-2,5,8,13-tetraoxo-3,6,9,14-tetraazaoctadecan-18-oic acid | C26H46N6O9

(4S,7S,10S,11S,15S)-15-{[(2S)-1-Amino-1-oxo-2-propanyl]carbamoyl}-11-hydroxy-10-isobutyl-7-isopropyl-4-methyl-2,5,8,13-tetraoxo-3,6,9,14-tetraazaoctadecan-18-oic acid

  • Molecular FormulaC26H46N6O9
  • Average mass586.678 Da
  • Monoisotopic mass586.332642 Da
  • ChemSpider ID4593368

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(4S,7S,10S,11S,15S)-15-{[(2S)-1-Amino-1-oxo-2-propanyl]carbamoyl}-11-hydroxy-10-isobutyl-7-isopropyl-4-methyl-2,5,8,13-tetraoxo-3,6,9,14-tetraazaoctadecan-18-oic acid [ACD/IUPAC Name]
(4S,7S,10S,11S,15S)-15-{[(2S)-1-Amino-1-oxo-2-propanyl]carbamoyl}-11-hydroxy-10-isobutyl-7-isopropyl-4-methyl-2,5,8,13-tetraoxo-3,6,9,14-tetraazaoctadecan-18-säure [German] [ACD/IUPAC Name]
Acide (4S,7S,10S,11S,15S)-15-{[(2S)-1-amino-1-oxo-2-propanyl]carbamoyl}-11-hydroxy-10-isobutyl-7-isopropyl-4-méthyl-2,5,8,13-tétraoxo-3,6,9,14-tétraazaoctadécan-18-oïque [French] [ACD/IUPAC Name]
L-Valinamide, N-acetyl-L-alanyl-N-[(1S,2S)-4-[[(1S)-1-[[[(1S)-2-amino-1-methyl-2-oxoethyl]amino]carbonyl]-3-carboxypropyl]amino]-2-hydroxy-1-(2-methylpropyl)-4-oxobutyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1056.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 175.1±6.0 kJ/mol
Flash Point: 592.8±34.3 °C
Index of Refraction: 1.520
Molar Refractivity: 147.0±0.3 cm3
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: -1.83
ACD/LogD (pH 5.5): -2.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 246 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 483.3±3.0 cm3

Click to predict properties on the Chemicalize site


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