Found 1 result

Search term: MLDYOVYWMHFCCE-FXMDSURADR (Found by InChIKey (skeleton match))
ChemSpider 2D Image | N-{(9S,16S)-16-Amino-6,20-bis(1-hydroxyethyl)-23-[4-(hydroxymethyl)phenyl]-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl}-4-{4-[4-(octylox y)phenyl]-1-piperazinyl}benzamide | C57H80N10O11

N-{(9S,16S)-16-Amino-6,20-bis(1-hydroxyethyl)-23-[4-(hydroxymethyl)phenyl]-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl}-4-{4-[4-(octylox y)phenyl]-1-piperazinyl}benzamide

  • Molecular FormulaC57H80N10O11
  • Average mass1081.306 Da
  • Monoisotopic mass1080.600830 Da
  • ChemSpider ID432106

  • defined stereocentres - 2 of 9 defined stereocentres

More details:

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

Benzamide, N-[(9S,16S)-16-aminotetracosahydro-6,20-bis(1-hydroxyethyl)-23-[4-(hydroxymethyl)phenyl]-5,8,14,19,22,25-hexaoxo-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacycloheneicosin-9-yl]-4-[4 -[4-(octyloxy)phenyl]-1-piperazinyl]- [ACD/Index Name]
N-{(9S,16S)-16-Amino-6,20-bis(1-hydroxyethyl)-23-[4-(hydroxymethyl)phenyl]-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl}-4-{4-[4-(octylox y)phenyl]-1-piperazinyl}benzamid [German] [ACD/IUPAC Name]
N-{(9S,16S)-16-Amino-6,20-bis(1-hydroxyethyl)-23-[4-(hydroxymethyl)phenyl]-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl}-4-{4-[4-(octylox y)phenyl]-1-piperazinyl}benzamide [ACD/IUPAC Name]
N-{(9S,16S)-16-Amino-6,20-bis(1-hydroxyéthyl)-23-[4-(hydroxyméthyl)phényl]-5,8,14,19,22,25-hexaoxotétracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohénicosin-9-yl}-4-{4-[4-(octylox y)phényl]-1-pipérazinyl}benzamide [French] [ACD/IUPAC Name]
N-{(18S,26S)-26-Amino-3,15-bis(hydroxyethyl)-6-[4-(hydroxymethyl)phenyl]-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexaazatricyclo[22.3.0.0<9,13>]heptacos-18-yl}{4-[4-(4-octyloxyphenyl)piperazinyl]phenyl}carboxamide

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

AIDS123310 [DBID]
AIDS-123310 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1363.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 216.0±3.0 kJ/mol
Flash Point: 778.4±34.3 °C
Index of Refraction: 1.648
Molar Refractivity: 293.0±0.4 cm3
#H bond acceptors: 21
#H bond donors: 10
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: -1.59
ACD/LogD (pH 5.5): -3.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 289 Å2
Polarizability: 116.1±0.5 10-24cm3
Surface Tension: 73.5±5.0 dyne/cm
Molar Volume: 804.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement