ChemSpider 2D Image | (10S,18R,19S,20S,22R,37R,38S)-22-[(3-Amino-3,6-dideoxy-beta-D-altropyranosyl)oxy]-38-[(2R,4S,5R)-7-(4-aminophenyl)-5-hydroxy-4-methyl-7-oxo-2-heptanyl]-10,12,14,18,20-pentahydroxy-37-methyl-2,4,8,16-t etraoxooxacyclooctatriaconta-23,25,27,29,31,33,35-heptaene-19-carboxylic acid | C59H84N2O18

(10S,18R,19S,20S,22R,37R,38S)-22-[(3-Amino-3,6-dideoxy-β-D-altropyranosyl)oxy]-38-[(2R,4S,5R)-7-(4-aminophenyl)-5-hydroxy-4-methyl-7-oxo-2-heptanyl]-10,12,14,18,20-pentahydroxy-37-methyl-2,4,8,16-t etraoxooxacyclooctatriaconta-23,25,27,29,31,33,35-heptaene-19-carboxylic acid

  • Molecular FormulaC59H84N2O18
  • Average mass1109.301 Da
  • Monoisotopic mass1108.571899 Da
  • ChemSpider ID79715562

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 14 of 17 defined stereocentres

More details:

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

(10S,18R,19S,20S,22R,37R,38S)-22-[(3-Amino-3,6-dideoxy-β-D-altropyranosyl)oxy]-38-[(2R,4S,5R)-7-(4-aminophenyl)-5-hydroxy-4-methyl-7-oxo-2-heptanyl]-10,12,14,18,20-pentahydroxy-37-methyl-2,4,8,16-t etraoxooxacyclooctatriaconta-23,25,27,29,31,33,35-heptaene-19-carboxylic acid [ACD/IUPAC Name]
(10S,18R,19S,20S,22R,37R,38S)-22-[(3-Amino-3,6-didesoxy-β-D-altropyranosyl)oxy]-38-[(2R,4S,5R)-7-(4-aminophenyl)-5-hydroxy-4-methyl-7-oxo-2-heptanyl]-10,12,14,18,20-pentahydroxy-37-methyl-2,4,8,16- tetraoxooxacyclooctatriaconta-23,25,27,29,31,33,35-heptaen-19-carbonsäure [German] [ACD/IUPAC Name]
Acide (10S,18R,19S,20S,22R,37R,38S)-22-[(3-amino-3,6-didésoxy-β-D-altropyranosyl)oxy]-38-[(2R,4S,5R)-7-(4-aminophényl)-5-hydroxy-4-méthyl-7-oxo-2-heptanyl]-10,12,14,18,20-pentahydroxy-37-méthyl-2,4 ,8,16-tétraoxooxacyclooctatriaconta-23,25,27,29,31,33,35-heptaène-19-carboxylique [French] [ACD/IUPAC Name]
Oxacyclooctatriaconta-23,25,27,29,31,33,35-heptaene-19-carboxylic acid, 22-[(3-amino-3,6-dideoxy-β-D-altropyranosyl)oxy]-38-[(1R,3S,4R)-6-(4-aminophenyl)-4-hydroxy-1,3-dimethyl-6-oxohexyl]-10,12,14 ,18,20-pentahydroxy-37-methyl-2,4,8,16-tetraoxo-, (10S,18R,19S,20S,22R,37R,38S)- [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: 1273.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 199.5±3.0 kJ/mol
Flash Point: 723.8±34.3 °C
Index of Refraction: 1.609
Molar Refractivity: 294.1±0.4 cm3
#H bond acceptors: 20
#H bond donors: 13
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 0.26
ACD/LogD (pH 5.5): -2.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 364 Å2
Polarizability: 116.6±0.5 10-24cm3
Surface Tension: 69.1±5.0 dyne/cm
Molar Volume: 849.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement