Found 1 result

Search term: 78445755 (Found by CSID)
ChemSpider 2D Image | L-Prolylglutaminyl-N-[12-(3-aminopropyl)-3-sec-butyl-21-(2-carboxyethyl)-9,29-dihydroxy-6,15-bis(4-hydroxybenzyl)-18-(1-hydroxyethyl)-24-methyl-2,5,8,11,14,17,20,23,26-nonaoxo-1-oxa-4,7,10,13,16,19,22 ,25-octaazacyclotriacontan-27-yl]tyrosinamide | C67H94N14O22

L-Prolylglutaminyl-N-[12-(3-aminopropyl)-3-sec-butyl-21-(2-carboxyethyl)-9,29-dihydroxy-6,15-bis(4-hydroxybenzyl)-18-(1-hydroxyethyl)-24-methyl-2,5,8,11,14,17,20,23,26-nonaoxo-1-oxa-4,7,10,13,16,19,22 ,25-octaazacyclotriacontan-27-yl]tyrosinamide

  • Molecular FormulaC67H94N14O22
  • Average mass1447.544 Da
  • Monoisotopic mass1446.666748 Da
  • ChemSpider ID78445755

  • defined stereocentres - 1 of 15 defined stereocentres

More details:

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

L-Prolylglutaminyl-N-[12-(3-aminopropyl)-3-sec-butyl-21-(2-carboxyethyl)-9,29-dihydroxy-6,15-bis(4-hydroxybenzyl)-18-(1-hydroxyethyl)-24-methyl-2,5,8,11,14,17,20,23,26-nonaoxo-1-oxa-4,7,10,13,16,19,22 ,25-octaazacyclotriacontan-27-yl]tyrosinamid [German] [ACD/IUPAC Name]
L-Prolylglutaminyl-N-[12-(3-aminopropyl)-3-sec-butyl-21-(2-carboxyethyl)-9,29-dihydroxy-6,15-bis(4-hydroxybenzyl)-18-(1-hydroxyethyl)-24-methyl-2,5,8,11,14,17,20,23,26-nonaoxo-1-oxa-4,7,10,13,16,19,22 ,25-octaazacyclotriacontan-27-yl]tyrosinamide [ACD/IUPAC Name]
L-Prolylglutaminyl-N-[12-(3-aminopropyl)-3-sec-butyl-21-(2-carboxyéthyl)-9,29-dihydroxy-6,15-bis(4-hydroxybenzyl)-18-(1-hydroxyéthyl)-24-méthyl-2,5,8,11,14,17,20,23,26-nonaoxo-1-oxa-4,7,10,13,16,19,22 ,25-octaazacyclotriacontan-27-yl]tyrosinamide [French] [ACD/IUPAC Name]
Tyrosinamide, L-prolylglutaminyl-N-[12-(3-aminopropyl)-21-(2-carboxyethyl)-9,29-dihydroxy-18-(1-hydroxyethyl)-6,15-bis[(4-hydroxyphenyl)methyl]-24-methyl-3-(1-methylpropyl)-2,5,8,11,14,17,20,23,26-non aoxo-1-oxa-4,7,10,13,16,19,22,25-octaazacyclotriacont-27-yl]- [ACD/Index Name]
Maltacine D1a

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1905.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 327.2±3.0 kJ/mol
Flash Point: 1106.2±34.3 °C
Index of Refraction: 1.649
Molar Refractivity: 363.8±0.4 cm3
#H bond acceptors: 36
#H bond donors: 23
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 3
ACD/LogP: -5.98
ACD/LogD (pH 5.5): -9.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 586 Å2
Polarizability: 144.2±0.5 10-24cm3
Surface Tension: 84.7±5.0 dyne/cm
Molar Volume: 998.8±5.0 cm3

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