ChemSpider 2D Image | N-[(3S)-3-Hydroxydecanoyl]-D-leucyl-N-[(3S,6S,9S,12R,15S,18R,21R,24R,27R,28R)-12-(3-amino-3-oxopropyl)-6-[(2R)-2-butanyl]-3-(2-carboxyethyl)-18-(hydroxymethyl)-9,15,21,24-tetraisopropyl-28-methyl-2,5, 8,11,14,17,20,23,26-nonaoxo-1-oxa-4,7,10,13,16,19,22,25-octaazacyclooctacosan-27-yl]-D-alpha-asparagine | C63H108N12O20

N-[(3S)-3-Hydroxydecanoyl]-D-leucyl-N-[(3S,6S,9S,12R,15S,18R,21R,24R,27R,28R)-12-(3-amino-3-oxopropyl)-6-[(2R)-2-butanyl]-3-(2-carboxyethyl)-18-(hydroxymethyl)-9,15,21,24-tetraisopropyl-28-methyl-2,5, 8,11,14,17,20,23,26-nonaoxo-1-oxa-4,7,10,13,16,19,22,25-octaazacyclooctacosan-27-yl]-D-α-asparagine

  • Molecular FormulaC63H108N12O20
  • Average mass1353.600 Da
  • Monoisotopic mass1352.780273 Da
  • ChemSpider ID78437626

  • defined stereocentres - 13 of 14 defined stereocentres

More details:

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

D-α-Asparagine, N-[(3S)-3-hydroxy-1-oxodecyl]-D-leucyl-N-[(3S,6S,9S,12R,15S,18R,21R,24R,27R,28R)-12-(3-amino-3-oxopropyl)-3-(2-carboxyethyl)-18-(hydroxymethyl)-28-methyl-9,15,21,24-tetrakis(1-meth ylethyl)-6-[(1R)-1-methylpropyl]-2,5,8,11,14,17,20,23,26-nonaoxo-1-oxa-4,7,10,13,16,19,22,25-octaazacyclooctacos-27-yl]- [ACD/Index Name]
N-[(3S)-3-Hydroxydecanoyl]-D-leucyl-N-[(3S,6S,9S,12R,15S,18R,21R,24R,27R,28R)-12-(3-amino-3-oxopropyl)-6-[(2R)-2-butanyl]-3-(2-carboxyethyl)-18-(hydroxymethyl)-9,15,21,24-tetraisopropyl-28-methyl-2,5, ;8,11,14,17,20,23,26-nonaoxo-1-oxa-4,7,10,13,16,19,22,25-octaazacyclooctacosan-27-yl]-D-α-asparagin [German] [ACD/IUPAC Name]
N-[(3S)-3-Hydroxydecanoyl]-D-leucyl-N-[(3S,6S,9S,12R,15S,18R,21R,24R,27R,28R)-12-(3-amino-3-oxopropyl)-6-[(2R)-2-butanyl]-3-(2-carboxyethyl)-18-(hydroxymethyl)-9,15,21,24-tetraisopropyl-28-methyl-2,5, ;8,11,14,17,20,23,26-nonaoxo-1-oxa-4,7,10,13,16,19,22,25-octaazacyclooctacosan-27-yl]-D-α-asparagine [ACD/IUPAC Name]
N-[(3S)-3-Hydroxydecanoyl]-D-leucyl-N-[(3S,6S,9S,12R,15S,18R,21R,24R,27R,28R)-12-(3-amino-3-oxopropyl)-6-[(2R)-2-butanyl]-3-(2-carboxyéthyl)-18-(hydroxyméthyl)-9,15,21,24-tétraisopropyl-28-méthyl-2,5, ;8,11,14,17,20,23,26-nonaoxo-1-oxa-4,7,10,13,16,19,22,25-octaazacyclooctacosan-27-yl]-D-α-asparagine [French] [ACD/IUPAC Name]
Tensin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1649.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 291.0±6.0 kJ/mol
Flash Point: 951.4±34.3 °C
Index of Refraction: 1.559
Molar Refractivity: 344.7±0.4 cm3
#H bond acceptors: 32
#H bond donors: 17
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 3
ACD/LogP: 0.27
ACD/LogD (pH 5.5): -2.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 505 Å2
Polarizability: 136.7±0.5 10-24cm3
Surface Tension: 61.8±5.0 dyne/cm
Molar Volume: 1067.5±5.0 cm3

Click to predict properties on the Chemicalize site


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