ChemSpider 2D Image | [(14E)-3-Ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-9-{[3,4,6-trideoxy-3-(dimethylamino)hexopyranosyl]oxy}-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]acetic acid | C31H51NO10

[(14E)-3-Ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-9-{[3,4,6-trideoxy-3-(dimethylamino)hexopyranosyl]oxy}-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]acetic acid

  • Molecular FormulaC31H51NO10
  • Average mass597.737 Da
  • Monoisotopic mass597.351318 Da
  • ChemSpider ID4948106

  • Double-bond stereo - Double-bond stereo

More details:

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

[(14E)-3-Ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-9-{[3,4,6-trideoxy-3-(dimethylamino)hexopyranosyl]oxy}-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]acetic acid [ACD/IUPAC Name]
[(14E)-3-Ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-9-{[3,4,6-tridesoxy-3-(dimethylamino)hexopyranosyl]oxy}-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]essigsäure [German] [ACD/IUPAC Name]
4,17-Dioxabicyclo[14.1.0]heptadec-14-ene-10-acetic acid, 3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-9-[[3,4,6-trideoxy-3-(dimethylamino)hexopyranosyl]oxy]-, (14E)- [ACD/Index Name]
Acide [(14E)-3-éthyl-7-hydroxy-2,8,12,16-tétraméthyl-5,13-dioxo-9-{[3,4,6-tridésoxy-3-(diméthylamino)hexopyranosyl]oxy}-4,17-dioxabicyclo[14.1.0]heptadéc-14-én-10-yl]acétique [French] [ACD/IUPAC Name]
130812-05-4 [RN]
Antibiotic 6108B
Cirramycin A1, 19-carboxy-19-de(oxomethyl)-

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

Density: 1.2±0.1 g/cm3
Boiling Point: 771.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.1±6.0 kJ/mol
Flash Point: 420.5±32.9 °C
Index of Refraction: 1.542
Molar Refractivity: 154.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 0.95
ACD/LogD (pH 5.5): -0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.09
ACD/LogD (pH 7.4): -0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 155 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 51.2±5.0 dyne/cm
Molar Volume: 492.3±5.0 cm3

Click to predict properties on the Chemicalize site


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