ChemSpider 2D Image | 3-O-[(2E)-3-Carboxy-2-propenoyl]-2,4-dideoxy-1-C-{4-[(4E,6E,14E,16Z)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxy-2-pentanyl}- 4,5-dimethylpentopyranose | C41H64O13

3-O-[(2E)-3-Carboxy-2-propenoyl]-2,4-dideoxy-1-C-{4-[(4E,6E,14E,16Z)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxy-2-pentanyl}- 4,5-dimethylpentopyranose

  • Molecular FormulaC41H64O13
  • Average mass764.939 Da
  • Monoisotopic mass764.434692 Da
  • ChemSpider ID4943185

  • Double-bond stereo - Double-bond stereo

More details:

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

3-O-[(2E)-3-Carboxy-2-propenoyl]-2,4-dideoxy-1-C-{4-[(4E,6E,14E,16Z)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxy-2-pentanyl}- 4,5-dimethylpentopyranose [ACD/IUPAC Name]
3-O-[(2E)-3-Carboxy-2-propenoyl]-2,4-didesoxy-1-C-{4-[(4E,6E,14E,16Z)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxy-2-pentanyl} -4,5-dimethylpentopyranose [German] [ACD/IUPAC Name]
3-O-[(2E)-3-Carboxy-2-propenoyl]-2,4-didésoxy-1-C-{4-[(4E,6E,14E,16Z)-11-éthyl-10,12-dihydroxy-3,17-diméthoxy-7,9,13,15-tétraméthyl-18-oxooxacyclooctadéca-4,6,14,16-tétraén-2-yl]-3-hydroxy-2-pentanyl} -4,5-diméthylpentopyranose [French] [ACD/IUPAC Name]
Pentopyranose, 3-O-[(2E)-3-carboxy-1-oxo-2-propen-1-yl]-2,4-dideoxy-1-C-[3-[(4E,6E,14E,16Z)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6,14,16-tetraen-2-yl] -2-hydroxy-1-methylbutyl]-4-methyl-5-C-methyl- [ACD/Index Name]
139595-03-2 [RN]
Viranamycin A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 887.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 146.5±6.0 kJ/mol
Flash Point: 258.6±27.8 °C
Index of Refraction: 1.549
Molar Refractivity: 203.1±0.4 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 3.93
ACD/KOC (pH 5.5): 21.66
ACD/LogD (pH 7.4): 0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 199 Å2
Polarizability: 80.5±0.5 10-24cm3
Surface Tension: 51.7±5.0 dyne/cm
Molar Volume: 638.8±5.0 cm3

Click to predict properties on the Chemicalize site


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