ChemSpider 2D Image | chalcomycin | C35H56O14

chalcomycin

  • Molecular FormulaC35H56O14
  • Average mass700.811 Da
  • Monoisotopic mass700.367004 Da
  • ChemSpider ID30792070
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 17 of 17 defined stereocentres


More details:






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

{(1R,2R,3R,6E,8S,9S,10S,12S,14E,16R)-9-[(4,6-Dideoxy-3-O-methyl-β-D-xylo-hexopyranosyl)oxy]-12-hydroxy-3,8,10,12-tetramethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-dien-2-yl}methyl 6-de oxy-2,3-di-O-methyl-β-D-allopyranoside [ACD/IUPAC Name]
{(1R,2R,3R,6E,8S,9S,10S,12S,14E,16R)-9-[(4,6-Didesoxy-3-O-methyl-β-D-xylo-hexopyranosyl)oxy]-12-hydroxy-3,8,10,12-tetramethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-dien-2-yl}methyl-6-d esoxy-2,3-di-O-methyl-β-D-allopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-2,3-di-O-méthyl-β-D-allopyranoside de {(1R,2R,3R,6E,8S,9S,10S,12S,14E,16R)-9-[(4,6-didésoxy-3-O-méthyl-β-D-xylo-hexopyranosyl)oxy]-12-hydroxy-3,8,10,12-tétraméthyl-5,13-dioxo-4,17-dioxa bicyclo[14.1.0]heptadéca-6,14-dién-2-yl}méthyle [French] [ACD/IUPAC Name]
chalcomycin

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 825.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.5±6.0 kJ/mol
Flash Point: 249.8±27.8 °C
Index of Refraction: 1.541
Molar Refractivity: 175.9±0.4 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.35
ACD/LogD (pH 5.5): 1.54
ACD/BCF (pH 5.5): 8.68
ACD/KOC (pH 5.5): 163.43
ACD/LogD (pH 7.4): 1.54
ACD/BCF (pH 7.4): 8.68
ACD/KOC (pH 7.4): 163.43
Polar Surface Area: 181 Å2
Polarizability: 69.7±0.5 10-24cm3
Surface Tension: 51.2±5.0 dyne/cm
Molar Volume: 560.0±5.0 cm3

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