Found 4 results

Search term: MF = 'C_{72}H_{109}N_{17}O_{21}'
ChemSpider 2D Image | 3-[33-(2-Amino-1-hydroxy-2-oxoethyl)-12-(2-amino-2-oxoethyl)-6,18-bis(3-aminopropyl)-24-benzyl-30,36-bis(hydroxymethyl)-9-(1H-indol-3-ylmethyl)-21-isobutyl-3-isopropyl-4,25-dimethyl-2,5,8,11,14,17,20, 23,26,29,32,35,38-tridecaoxo-40-pentyl-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37-dodecaazacyclotetracontan-15-yl]propanoic acid | C72H109N17O21

3-[33-(2-Amino-1-hydroxy-2-oxoethyl)-12-(2-amino-2-oxoethyl)-6,18-bis(3-aminopropyl)-24-benzyl-30,36-bis(hydroxymethyl)-9-(1H-indol-3-ylmethyl)-21-isobutyl-3-isopropyl-4,25-dimethyl-2,5,8,11,14,17,20, 23,26,29,32,35,38-tridecaoxo-40-pentyl-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37-dodecaazacyclotetracontan-15-yl]propanoic acid

  • Molecular FormulaC72H109N17O21
  • Average mass1548.737 Da
  • Monoisotopic mass1547.798340 Da
  • ChemSpider ID78444690

More details:

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

1-Oxa-4,7,10,13,16,19,22,25,28,31,34,37-dodecaazacyclotetracontane-15-propanoic acid, 33-(2-amino-1-hydroxy-2-oxoethyl)-12-(2-amino-2-oxoethyl)-6,18-bis(3-aminopropyl)-30,36-bis(hydroxymethyl)-9-(1H-i ndol-3-ylmethyl)-4,25-dimethyl-3-(1-methylethyl)-21-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38-tridecaoxo-40-pentyl-24-(phenylmethyl)- [ACD/Index Name]
3-[33-(2-Amino-1-hydroxy-2-oxoethyl)-12-(2-amino-2-oxoethyl)-6,18-bis(3-aminopropyl)-24-benzyl-30,36-bis(hydroxymethyl)-9-(1H-indol-3-ylmethyl)-21-isobutyl-3-isopropyl-4,25-dimethyl-2,5,8,11,14,17,20, 23,26,29,32,35,38-tridecaoxo-40-pentyl-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37-dodecaazacyclotetracontan-15-yl]propanoic acid [ACD/IUPAC Name]
3-[33-(2-Amino-1-hydroxy-2-oxoethyl)-12-(2-amino-2-oxoethyl)-6,18-bis(3-aminopropyl)-24-benzyl-30,36-bis(hydroxymethyl)-9-(1H-indol-3-ylmethyl)-21-isobutyl-3-isopropyl-4,25-dimethyl-2,5,8,11,14,17,20, 23,26,29,32,35,38-tridecaoxo-40-pentyl-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37-dodecaazacyclotetracontan-15-yl]propansäure [German] [ACD/IUPAC Name]
Acide 3-[33-(2-amino-1-hydroxy-2-oxoéthyl)-12-(2-amino-2-oxoéthyl)-6,18-bis(3-aminopropyl)-24-benzyl-30,36-bis(hydroxyméthyl)-9-(1H-indol-3-ylméthyl)-21-isobutyl-3-isopropyl-4,25-diméthyl-2,5,8,11,14, 17,20,23,26,29,32,35,38-tridécaoxo-40-pentyl-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37-dodécaazacyclotétracontan-15-yl]propanoïque [French] [ACD/IUPAC Name]
WAP-8294A1

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1877.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 320.9±3.0 kJ/mol
Flash Point: 1089.0±34.3 °C
Index of Refraction: 1.523
Molar Refractivity: 394.3±0.3 cm3
#H bond acceptors: 38
#H bond donors: 23
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 3
ACD/LogP: -7.04
ACD/LogD (pH 5.5): -9.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 610 Å2
Polarizability: 156.3±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 1290.3±3.0 cm3

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