Found 5 results

Search term: MF = 'C_{73}H_{112}N_{12}O_{20}'
ChemSpider 2D Image | N-(3-Hydroxy-14-methylhexadecanoyl)-L-alpha-glutamyl-N-[(4S,7R,10S,13S,19R,22S,25R,28S)-10-(3-amino-3-oxopropyl)-22-(2-carboxyethyl)-19-ethyl-7-(4-hydroxybenzyl)-25-[(1R)-1-hydroxyethyl]-4-isopropyl-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]-D-ornithinamide | C73H112N12O20

N-(3-Hydroxy-14-methylhexadecanoyl)-L-α-glutamyl-N-[(4S,7R,10S,13S,19R,22S,25R,28S)-10-(3-amino-3-oxopropyl)-22-(2-carboxyethyl)-19-ethyl-7-(4-hydroxybenzyl)-25-[(1R)-1-hydroxyethyl]-4-isopropyl-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]-D-ornithinamide

  • Molecular FormulaC73H112N12O20
  • Average mass1477.739 Da
  • Monoisotopic mass1476.811523 Da
  • ChemSpider ID9139564

  • defined stereocentres - 11 of 13 defined stereocentres

More details:

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

D-Ornithinamide, N-(3-hydroxy-14-methyl-1-oxohexadecyl)-L-α-glutamyl-N-[(3S,6R,9S,17S,20R,23S,26R,31aS)-3-(3-amino-3-oxopropyl)-23-(2-carboxyethyl)-26-ethyl-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-[(1R)-1-hydroxyethyl]-6-[(4-hydroxyphenyl)methyl]-9-(1-methylethyl)-1,4,7,10,18,21,24,27-octaoxo-12,15-ethenopyrrolo[2,1-l][1,4,7,10,13,16,19,22]oxahept aazacyclononacosin-17-yl]- [ACD/Index Name]
N-(3-Hydroxy-14-methylhexadecanoyl)-L-α-glutamyl-N-[(4S,7R,10S,13S,19R,22S,25R,28S)-10-(3-amino-3-oxopropyl)-22-(2-carboxyethyl)-19-ethyl-7-(4-hydroxybenzyl)-25-[(1R)-1-hydroxyethyl]-4-isopropyl-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]-D-ornithinamid [German] [ACD/IUPAC Name]
N-(3-Hydroxy-14-methylhexadecanoyl)-L-α-glutamyl-N-[(4S,7R,10S,13S,19R,22S,25R,28S)-10-(3-amino-3-oxopropyl)-22-(2-carboxyethyl)-19-ethyl-7-(4-hydroxybenzyl)-25-[(1R)-1-hydroxyethyl]-4-isopropyl-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]-D-ornithinamide [ACD/IUPAC Name]
N-(3-Hydroxy-14-méthylhexadecanoyl)-L-α-glutamyl-N-[(4S,7R,10S,13S,19R,22S,25R,28S)-10-(3-amino-3-oxopropyl)-22-(2-carboxyéthyl)-19-éthyl-7-(4-hydroxybenzyl)-25-[(1R)-1-hydroxyéthyl]-4-isopropyl-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]-D-ornithinamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1690.4±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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