ChemSpider 2D Image | N-Acetyl-2-methylalanyl-L-prolyl-L-alanyl-2-methylalanyl-2-methylalanyl-L-phenylalanyl-D-isovalyl-L-prolyl-N-[(3R,10S,13R,20R,29R)-13-ethyl-3,37-dihydroxy-10,20,29-triisobutyl-2,13,23,23,26,26-hexamet hyl-4,8,11,14,18,21,24,27,30,34-decaoxo-5,9,12,15,19,22,25,28,31,35-decaazaheptatriacontan-2-yl]-L-alaninamide | C91H152N20O22

N-Acetyl-2-methylalanyl-L-prolyl-L-alanyl-2-methylalanyl-2-methylalanyl-L-phenylalanyl-D-isovalyl-L-prolyl-N-[(3R,10S,13R,20R,29R)-13-ethyl-3,37-dihydroxy-10,20,29-triisobutyl-2,13,23,23,26,26-hexamet hyl-4,8,11,14,18,21,24,27,30,34-decaoxo-5,9,12,15,19,22,25,28,31,35-decaazaheptatriacontan-2-yl]-L-alaninamide

  • Molecular FormulaC91H152N20O22
  • Average mass1878.301 Da
  • Monoisotopic mass1877.139038 Da
  • ChemSpider ID35516771

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

L-Alaninamide, N-acetyl-2-methylalanyl-L-prolyl-L-alanyl-2-methylalanyl-2-methylalanyl-L-phenylalanyl-D-isovalyl-L-prolyl-N-[(2R,9S,12R,19R,28R)-12-ethyl-2,36-dihydroxy-1,1,12,22,22,25,25-heptamethyl- 9,19,28-tris(2-methylpropyl)-3,7,10,13,17,20,23,26,29,33-decaoxo-4,8,11,14,18,21,24,27,30,34-decaazahexatriacont-1-yl]- [ACD/Index Name]
N-Acetyl-2-methylalanyl-L-prolyl-L-alanyl-2-methylalanyl-2-methylalanyl-L-phenylalanyl-D-isovalyl-L-prolyl-N-[(3R,10S,13R,20R,29R)-13-ethyl-3,37-dihydroxy-10,20,29-triisobutyl-2,13,23,23,26,26-hexamet hyl-4,8,11,14,18,21,24,27,30,34-decaoxo-5,9,12,15,19,22,25,28,31,35-decaazaheptatriacontan-2-yl]-L-alaninamid [German] [ACD/IUPAC Name]
N-Acetyl-2-methylalanyl-L-prolyl-L-alanyl-2-methylalanyl-2-methylalanyl-L-phenylalanyl-D-isovalyl-L-prolyl-N-[(3R,10S,13R,20R,29R)-13-ethyl-3,37-dihydroxy-10,20,29-triisobutyl-2,13,23,23,26,26-hexamet hyl-4,8,11,14,18,21,24,27,30,34-decaoxo-5,9,12,15,19,22,25,28,31,35-decaazaheptatriacontan-2-yl]-L-alaninamide [ACD/IUPAC Name]
N-Acétyl-2-méthylalanyl-L-prolyl-L-alanyl-2-méthylalanyl-2-méthylalanyl-L-phénylalanyl-D-isovalyl-L-prolyl-N-[(3R,10S,13R,20R,29R)-13-éthyl-3,37-dihydroxy-10,20,29-triisobutyl-2,13,23,23,26,26-hexamét hyl-4,8,11,14,18,21,24,27,30,34-décaoxo-5,9,12,15,19,22,25,28,31,35-décaazaheptatriacontan-2-yl]-L-alaninamide [French] [ACD/IUPAC 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: 1953.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 338.0±3.0 kJ/mol
Flash Point: 1135.1±34.3 °C
Index of Refraction: 1.538
Molar Refractivity: 490.5±0.3 cm3
#H bond acceptors: 42
#H bond donors: 20
#Freely Rotating Bonds: 52
#Rule of 5 Violations: 3
ACD/LogP: 2.71
ACD/LogD (pH 5.5): 0.64
ACD/BCF (pH 5.5): 1.80
ACD/KOC (pH 5.5): 53.09
ACD/LogD (pH 7.4): 0.64
ACD/BCF (pH 7.4): 1.80
ACD/KOC (pH 7.4): 53.09
Polar Surface Area: 605 Å2
Polarizability: 194.5±0.5 10-24cm3
Surface Tension: 51.3±3.0 dyne/cm
Molar Volume: 1567.5±3.0 cm3

Click to predict properties on the Chemicalize site


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