Found 1 result

Search term: 78445216 (Found by CSID)
ChemSpider 2D Image | (19E,21E,23Z,25Z,29E)-33-[(3-Amino-3,6-dideoxy-D-mannopyranosyl)oxy]-17-[7-(4-aminophenyl)-5-hydroxy-7-oxo-2-heptanyl]-1,3,5,7,11,13,37-heptahydroxy-18-methyl-15-oxo-16,39-dioxabicyclo[33.3.1]nonatria conta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid | C58H86N2O18

(19E,21E,23Z,25Z,29E)-33-[(3-Amino-3,6-dideoxy-D-mannopyranosyl)oxy]-17-[7-(4-aminophenyl)-5-hydroxy-7-oxo-2-heptanyl]-1,3,5,7,11,13,37-heptahydroxy-18-methyl-15-oxo-16,39-dioxabicyclo[33.3.1]nonatria conta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid

  • Molecular FormulaC58H86N2O18
  • Average mass1099.306 Da
  • Monoisotopic mass1098.587524 Da
  • ChemSpider ID78445216

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 19 defined stereocentres

More details:

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

(19E,21E,23Z,25Z,29E)-33-[(3-Amino-3,6-dideoxy-D-mannopyranosyl)oxy]-17-[7-(4-aminophenyl)-5-hydroxy-7-oxo-2-heptanyl]-1,3,5,7,11,13,37-heptahydroxy-18-methyl-15-oxo-16,39-dioxabicyclo[33.3.1]nonatria conta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid [ACD/IUPAC Name]
(19E,21E,23Z,25Z,29E)-33-[(3-Amino-3,6-didesoxy-D-mannopyranosyl)oxy]-17-[7-(4-aminophenyl)-5-hydroxy-7-oxo-2-heptanyl]-1,3,5,7,11,13,37-heptahydroxy-18-methyl-15-oxo-16,39-dioxabicyclo[33.3.1]nonatri aconta-19,21,23,25,27,29,31-heptaen-36-carbonsäure [German] [ACD/IUPAC Name]
16,39-Dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid, 33-[(3-amino-3,6-dideoxy-D-mannopyranosyl)oxy]-17-[6-(4-aminophenyl)-4-hydroxy-1-methyl-6-oxohexyl]-1,3,5,7,11 ,13,37-heptahydroxy-18-methyl-15-oxo-, (19E,21E,23Z,25Z,29E)- [ACD/Index Name]
Acide (19E,21E,23Z,25Z,29E)-33-[(3-amino-3,6-didésoxy-D-mannopyranosyl)oxy]-17-[7-(4-aminophényl)-5-hydroxy-7-oxo-2-heptanyl]-1,3,5,7,11,13,37-heptahydroxy-18-méthyl-15-oxo-16,39-dioxabicyclo[33.3.1]n onatriaconta-19,21,23,25,27,29,31-heptaène-36-carboxylique [French] [ACD/IUPAC Name]
3874 H1

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1262.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 197.5±3.0 kJ/mol
Flash Point: 717.1±34.3 °C
Index of Refraction: 1.625
Molar Refractivity: 291.9±0.4 cm3
#H bond acceptors: 20
#H bond donors: 15
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 1.29
ACD/LogD (pH 5.5): -1.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 363 Å2
Polarizability: 115.7±0.5 10-24cm3
Surface Tension: 72.9±5.0 dyne/cm
Molar Volume: 826.0±5.0 cm3

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