ChemSpider 2D Image | 20-[(3-Amino-3,6-dideoxy-D-mannopyranosyl)oxy]-4,6,8,11,12,16,18,36-octahydroxy-35,37,38-trimethyl-2,14-dioxooxacyclooctatriaconta-21,23,25,27,31,33-hexaene-17-carboxylic acid | C47H75NO17

20-[(3-Amino-3,6-dideoxy-D-mannopyranosyl)oxy]-4,6,8,11,12,16,18,36-octahydroxy-35,37,38-trimethyl-2,14-dioxooxacyclooctatriaconta-21,23,25,27,31,33-hexaene-17-carboxylic acid

  • Molecular FormulaC47H75NO17
  • Average mass926.095 Da
  • Monoisotopic mass925.503479 Da
  • ChemSpider ID16744270

  • defined stereocentres - 4 of 18 defined stereocentres

More details:

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

20-[(3-Amino-3,6-dideoxy-D-mannopyranosyl)oxy]-4,6,8,11,12,16,18,36-octahydroxy-35,37,38-trimethyl-2,14-dioxooxacyclooctatriaconta-21,23,25,27,31,33-hexaene-17-carboxylic acid [ACD/IUPAC Name]
20-[(3-Amino-3,6-didesoxy-D-mannopyranosyl)oxy]-4,6,8,11,12,16,18,36-octahydroxy-35,37,38-trimethyl-2,14-dioxooxacyclooctatriaconta-21,23,25,27,31,33-hexaen-17-carbonsäure [German] [ACD/IUPAC Name]
Acide 20-[(3-amino-3,6-didésoxy-D-mannopyranosyl)oxy]-4,6,8,11,12,16,18,36-octahydroxy-35,37,38-triméthyl-2,14-dioxooxacyclooctatriaconta-21,23,25,27,31,33-hexaène-17-carboxylique [French] [ACD/IUPAC Name]
Oxacyclooctatriaconta-21,23,25,27,31,33-hexaene-17-carboxylic acid, 20-[(3-amino-3,6-dideoxy-D-mannopyranosyl)oxy]-4,6,8,11,12,16,18,36-octahydroxy-35,37,38-trimethyl-2,14-dioxo- [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: 1132.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 188.5±6.0 kJ/mol
Flash Point: 638.5±34.3 °C
Index of Refraction: 1.598
Molar Refractivity: 240.7±0.4 cm3
#H bond acceptors: 18
#H bond donors: 13
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 0.62
ACD/LogD (pH 5.5): -2.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 327 Å2
Polarizability: 95.4±0.5 10-24cm3
Surface Tension: 69.5±5.0 dyne/cm
Molar Volume: 705.3±5.0 cm3

Click to predict properties on the Chemicalize site


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