Found 5 results

Search term: MF = 'C_{73}H_{112}N_{12}O_{20}'
ChemSpider 2D Image | N-(3-Hydroxy-14-methylhexadecanoyl)-alpha-glutamyl-N-[10-(3-amino-3-oxopropyl)-4-sec-butyl-22-(2-carboxyethyl)-7-(4-hydroxybenzyl)-25-(1-hydroxyethyl)-19-methyl-3,6,9,12,18,21,24,27-octaoxo-2-oxa-5,8, 11,17,20,23,26-heptaazatricyclo[28.2.2.0~13,17~]tetratriaconta-1(32),30,33-trien-28-yl]ornithinamide | C73H112N12O20

N-(3-Hydroxy-14-methylhexadecanoyl)-α-glutamyl-N-[10-(3-amino-3-oxopropyl)-4-sec-butyl-22-(2-carboxyethyl)-7-(4-hydroxybenzyl)-25-(1-hydroxyethyl)-19-methyl-3,6,9,12,18,21,24,27-octaoxo-2-oxa-5,8, 11,17,20,23,26-heptaazatricyclo[28.2.2.013,17]tetratriaconta-1(32),30,33-trien-28-yl]ornithinamide

  • Molecular FormulaC73H112N12O20
  • Average mass1477.739 Da
  • Monoisotopic mass1476.811523 Da
  • ChemSpider ID165553

More details:

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

N-(3-Hydroxy-14-methylhexadecanoyl)-α-glutamyl-N-[10-(3-amino-3-oxopropyl)-4-sec-butyl-22-(2-carboxyethyl)-7-(4-hydroxybenzyl)-25-(1-hydroxyethyl)-19-methyl-3,6,9,12,18,21,24,27-octaoxo-2-oxa-5,8, 11,17,20,23,26-heptaazatricyclo[28.2.2.013,17]tetratriaconta-1(32),30,33-trien-28-yl]ornithinamid [German] [ACD/IUPAC Name]
N-(3-Hydroxy-14-methylhexadecanoyl)-α-glutamyl-N-[10-(3-amino-3-oxopropyl)-4-sec-butyl-22-(2-carboxyethyl)-7-(4-hydroxybenzyl)-25-(1-hydroxyethyl)-19-methyl-3,6,9,12,18,21,24,27-octaoxo-2-oxa-5,8, 11,17,20,23,26-heptaazatricyclo[28.2.2.013,17]tetratriaconta-1(32),30,33-trien-28-yl]ornithinamide [ACD/IUPAC Name]
N-(3-Hydroxy-14-méthylhexadecanoyl)-α-glutamyl-N-[10-(3-amino-3-oxopropyl)-4-sec-butyl-22-(2-carboxyéthyl)-7-(4-hydroxybenzyl)-25-(1-hydroxyéthyl)-19-méthyl-3,6,9,12,18,21,24,27-octaoxo-2-oxa-5,8, 11,17,20,23,26-heptaazatricyclo[28.2.2.013,17]tétratriaconta-1(32),30,33-trién-28-yl]ornithinamide [French] [ACD/IUPAC Name]
Ornithinamide, N-(3-hydroxy-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-hydroxyethyl)-6-[(4-hydroxyphenyl)methyl]-26-methyl-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]
103955-72-2 [RN]
Plipastatin A 2

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1690.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 280.6±3.0 kJ/mol
Flash Point: 976.1±34.3 °C
Index of Refraction: 1.601
Molar Refractivity: 384.6±0.4 cm3
#H bond acceptors: 32
#H bond donors: 18
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 3
ACD/LogP: 1.15
ACD/LogD (pH 5.5): -2.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 513 Å2
Polarizability: 152.5±0.5 10-24cm3
Surface Tension: 70.2±5.0 dyne/cm
Molar Volume: 1122.4±5.0 cm3

Click to predict properties on the Chemicalize site


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