ChemSpider 2D Image | rimocidin | C39H61NO14

rimocidin

  • Molecular FormulaC39H61NO14
  • Average mass767.900 Da
  • Monoisotopic mass767.409180 Da
  • ChemSpider ID65322898

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(1R,3S,9R,10S,13R,15E,17E,19E,23R,25S,26R,27S)-23-[(3-Amino-3,6-dideoxy-β-D-mannopyranosyl)oxy]-10-ethyl-1,3,9,27-tetrahydroxy-7,11-dioxo-13-propyl-12,29-dioxabicyclo[23.3.1]nonacosa-15,17,19,21-te traene-26-carboxylic acid [ACD/IUPAC Name]
(1R,3S,9R,10S,13R,15E,17E,19E,23R,25S,26R,27S)-23-[(3-Amino-3,6-didesoxy-β-D-mannopyranosyl)oxy]-10-ethyl-1,3,9,27-tetrahydroxy-7,11-dioxo-13-propyl-12,29-dioxabicyclo[23.3.1]nonacosa-15,17,19,21-t etraen-26-carbonsäure [German] [ACD/IUPAC Name]
12,29-Dioxabicyclo[23.3.1]nonacosa-15,17,19,21-tetraene-26-carboxylic acid, 23-[(3-amino-3,6-dideoxy-β-D-mannopyranosyl)oxy]-10-ethyl-1,3,9,27-tetrahydroxy-7,11-dioxo-13-propyl-, (1R,3S,9R,10S,13R, 15E,17E,19E,23R,25S,26R,27S)- [ACD/Index Name]
Acide (1R,3S,9R,10S,13R,15E,17E,19E,23R,25S,26R,27S)-23-[(3-amino-3,6-didésoxy-β-D-mannopyranosyl)oxy]-10-éthyl-1,3,9,27-tétrahydroxy-7,11-dioxo-13-propyl-12,29-dioxabicyclo[23.3.1]nonacosa-15,17,1 9,21-tétraène-26-carboxylique [French] [ACD/IUPAC Name]
rimocidin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1004.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 166.1±6.0 kJ/mol
Flash Point: 561.3±34.3 °C
Index of Refraction: 1.588
Molar Refractivity: 197.6±0.4 cm3
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 2.11
ACD/LogD (pH 5.5): -1.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 256 Å2
Polarizability: 78.3±0.5 10-24cm3
Surface Tension: 65.6±5.0 dyne/cm
Molar Volume: 586.9±5.0 cm3

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