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Search term: 78444932 (Found by CSID)
ChemSpider 2D Image | N-(14-Methylhexadecanoyl)-alpha-glutamyl-N-[10-(3-amino-3-oxopropyl)-4-sec-butyl-22-(2-carboxyethyl)-7-(4-hydroxybenzyl)-25-(1-hydroxyethyl)-19-isopropyl-3,6,9,12,18,21,24,27-octaoxo-2-oxa-5,8,11,17,2 0,23,26-heptaazatricyclo[28.2.2.0~13,17~]tetratriaconta-1(32),30,33-trien-28-yl]ornithinamide | C75H116N12O19

N-(14-Methylhexadecanoyl)-α-glutamyl-N-[10-(3-amino-3-oxopropyl)-4-sec-butyl-22-(2-carboxyethyl)-7-(4-hydroxybenzyl)-25-(1-hydroxyethyl)-19-isopropyl-3,6,9,12,18,21,24,27-octaoxo-2-oxa-5,8,11,17,2 0,23,26-heptaazatricyclo[28.2.2.013,17]tetratriaconta-1(32),30,33-trien-28-yl]ornithinamide

  • Molecular FormulaC75H116N12O19
  • Average mass1489.792 Da
  • Monoisotopic mass1488.848022 Da
  • ChemSpider ID78444932

More details:

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

N-(14-Methylhexadecanoyl)-α-glutamyl-N-[10-(3-amino-3-oxopropyl)-4-sec-butyl-22-(2-carboxyethyl)-7-(4-hydroxybenzyl)-25-(1-hydroxyethyl)-19-isopropyl-3,6,9,12,18,21,24,27-octaoxo-2-oxa-5,8,11,17,2 0,23,26-heptaazatricyclo[28.2.2.013,17]tetratriaconta-1(32),30,33-trien-28-yl]ornithinamid [German] [ACD/IUPAC Name]
N-(14-Methylhexadecanoyl)-α-glutamyl-N-[10-(3-amino-3-oxopropyl)-4-sec-butyl-22-(2-carboxyethyl)-7-(4-hydroxybenzyl)-25-(1-hydroxyethyl)-19-isopropyl-3,6,9,12,18,21,24,27-octaoxo-2-oxa-5,8,11,17,2 0,23,26-heptaazatricyclo[28.2.2.013,17]tetratriaconta-1(32),30,33-trien-28-yl]ornithinamide [ACD/IUPAC Name]
N-(14-Méthylhexadecanoyl)-α-glutamyl-N-[10-(3-amino-3-oxopropyl)-4-sec-butyl-22-(2-carboxyéthyl)-7-(4-hydroxybenzyl)-25-(1-hydroxyéthyl)-19-isopropyl-3,6,9,12,18,21,24,27-octaoxo-2-oxa-5,8,11,17,2 0,23,26-heptaazatricyclo[28.2.2.013,17]tétratriaconta-1(32),30,33-trién-28-yl]ornithinamide [French] [ACD/IUPAC Name]
Ornithinamide, N-(14-methyl-1-oxohexadecyl)-α-glutamyl-N-[3-(3-amino-3-oxopropyl)-23-(2-carboxyethyl)-1,2,3,4,5,6,7,8,9,10,16,17,18,19,20,21,22,23,24,25,26,27,29,30,31,31a-hexacosahydro-20-(1-hydr oxyethyl)-6-[(4-hydroxyphenyl)methyl]-26-(1-methylethyl)-9-(1-methylpropyl)-1,4,7,10,18,21,24,27-octaoxo-12,15-ethenopyrrolo[2,1-l][1,4,7,10,13,16,19,22]oxaheptaazacyclononacosin-17-yl]- [ACD/Index Name]
SNA-60-367-21

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1664.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 275.1±3.0 kJ/mol
Flash Point: 960.2±34.3 °C
Index of Refraction: 1.593
Molar Refractivity: 392.3±0.4 cm3
#H bond acceptors: 31
#H bond donors: 17
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 3
ACD/LogP: 3.69
ACD/LogD (pH 5.5): -0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 493 Å2
Polarizability: 155.5±0.5 10-24cm3
Surface Tension: 67.1±5.0 dyne/cm
Molar Volume: 1157.2±5.0 cm3

Click to predict properties on the Chemicalize site


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