ChemSpider 2D Image | Neutramycin F | C27H42O11

Neutramycin F

  • Molecular FormulaC27H42O11
  • Average mass542.616 Da
  • Monoisotopic mass542.272705 Da
  • ChemSpider ID10208473

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 12 defined stereocentres

More details:

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

[(1S,2R,3R,6E,8S,9S,12S,14E,16R)-9,12-Dihydroxy-3,8,12-trimethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-dien-2-yl]methyl 6-deoxy-2,3-di-O-methyl-β-D-allopyranoside [ACD/IUPAC Name]
[(1S,2R,3R,6E,8S,9S,12S,14E,16R)-9,12-Dihydroxy-3,8,12-trimethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-dien-2-yl]methyl-6-desoxy-2,3-di-O-methyl-β-D-allopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-2,3-di-O-méthyl-β-D-allopyranoside de [(1S,2R,3R,6E,8S,9S,12S,14E,16R)-9,12-dihydroxy-3,8,12-triméthyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadéca-6,14-dién-2-yl]méthyle [French] [ACD/IUPAC Name]
Neutramycin F

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

Density: 1.3±0.1 g/cm3
Boiling Point: 733.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 122.2±6.0 kJ/mol
Flash Point: 237.2±26.4 °C
Index of Refraction: 1.545
Molar Refractivity: 135.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 0.16
ACD/LogD (pH 5.5): 0.76
ACD/BCF (pH 5.5): 2.23
ACD/KOC (pH 5.5): 61.77
ACD/LogD (pH 7.4): 0.76
ACD/BCF (pH 7.4): 2.23
ACD/KOC (pH 7.4): 61.77
Polar Surface Area: 154 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 52.3±5.0 dyne/cm
Molar Volume: 429.7±5.0 cm3

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