ChemSpider 2D Image | Methyl (23E,25E,27E,29E,31E,33E,35E)-22-[(3-amino-3,6-dideoxy-D-mannopyranosyl)oxy]-4,8,10,12,14,18,20-heptahydroxy-38-{5-hydroxy-7-[4-(methylamino)phenyl]-7-oxo-2-heptanyl}-37-methyl-2,6,16-trioxooxa cyclooctatriaconta-23,25,27,29,31,33,35-heptaene-19-carboxylate | C60H88N2O19

Methyl (23E,25E,27E,29E,31E,33E,35E)-22-[(3-amino-3,6-dideoxy-D-mannopyranosyl)oxy]-4,8,10,12,14,18,20-heptahydroxy-38-{5-hydroxy-7-[4-(methylamino)phenyl]-7-oxo-2-heptanyl}-37-methyl-2,6,16-trioxooxa cyclooctatriaconta-23,25,27,29,31,33,35-heptaene-19-carboxylate

  • Molecular FormulaC60H88N2O19
  • Average mass1141.343 Da
  • Monoisotopic mass1140.598145 Da
  • ChemSpider ID8117262

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 18 defined stereocentres

More details:

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

(23E,25E,27E,29E,31E,33E,35E)-22-[(3-Amino-3,6-didésoxy-D-mannopyranosyl)oxy]-4,8,10,12,14,18,20-heptahydroxy-38-{5-hydroxy-7-[4-(méthylamino)phényl]-7-oxo-2-heptanyl}-37-méthyl-2,6,16-trioxooxacycloo ctatriaconta-23,25,27,29,31,33,35-heptaène-19-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl (23E,25E,27E,29E,31E,33E,35E)-22-[(3-amino-3,6-dideoxy-D-mannopyranosyl)oxy]-4,8,10,12,14,18,20-heptahydroxy-38-{5-hydroxy-7-[4-(methylamino)phenyl]-7-oxo-2-heptanyl}-37-methyl-2,6,16-trioxooxa cyclooctatriaconta-23,25,27,29,31,33,35-heptaene-19-carboxylate [ACD/IUPAC Name]
Methyl-(23E,25E,27E,29E,31E,33E,35E)-22-[(3-amino-3,6-didesoxy-D-mannopyranosyl)oxy]-4,8,10,12,14,18,20-heptahydroxy-38-{5-hydroxy-7-[4-(methylamino)phenyl]-7-oxo-2-heptanyl}-37-methyl-2,6,16-trioxoox acyclooctatriaconta-23,25,27,29,31,33,35-heptaen-19-carboxylat [German] [ACD/IUPAC Name]
Oxacyclooctatriaconta-23,25,27,29,31,33,35-heptaene-19-carboxylic acid, 22-[(3-amino-3,6-dideoxy-D-mannopyranosyl)oxy]-4,8,10,12,14,18,20-heptahydroxy-38-[4-hydroxy-1-methyl-6-[4-(methylamino)phenyl]- 6-oxohexyl]-37-methyl-2,6,16-trioxo-, methyl ester, (23E,25E,27E,29E,31E,33E,35E)- [ACD/Index 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: 1263.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 197.8±3.0 kJ/mol
Flash Point: 718.2±34.3 °C
Index of Refraction: 1.605
Molar Refractivity: 301.9±0.4 cm3
#H bond acceptors: 21
#H bond donors: 13
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 0.48
ACD/LogD (pH 5.5): -2.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.28
Polar Surface Area: 363 Å2
Polarizability: 119.7±0.5 10-24cm3
Surface Tension: 68.2±5.0 dyne/cm
Molar Volume: 876.3±5.0 cm3

Click to predict properties on the Chemicalize site


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