Found 1 result

Search term: 78439839 (Found by CSID)
ChemSpider 2D Image | [(1S,2Z,11Z,14R,17Z,20S,23S)-20,23-Dihydroxy-6-methyl-8-oxo-7,24-dioxabicyclo[18.3.1]tetracosa-2,9,11,15,17-pentaen-14-yl]methyl beta-D-glucopyranoside | C30H44O11

[(1S,2Z,11Z,14R,17Z,20S,23S)-20,23-Dihydroxy-6-methyl-8-oxo-7,24-dioxabicyclo[18.3.1]tetracosa-2,9,11,15,17-pentaen-14-yl]methyl β-D-glucopyranoside

  • Molecular FormulaC30H44O11
  • Average mass580.664 Da
  • Monoisotopic mass580.288391 Da
  • ChemSpider ID78439839

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 10 defined stereocentres

More details:

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

[(1S,2Z,11Z,14R,17Z,20S,23S)-20,23-Dihydroxy-6-methyl-8-oxo-7,24-dioxabicyclo[18.3.1]tetracosa-2,9,11,15,17-pentaen-14-yl]methyl β-D-glucopyranoside [ACD/IUPAC Name]
[(1S,2Z,11Z,14R,17Z,20S,23S)-20,23-Dihydroxy-6-methyl-8-oxo-7,24-dioxabicyclo[18.3.1]tetracosa-2,9,11,15,17-pentaen-14-yl]methyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
7,24-Dioxabicyclo[18.3.1]tetracosa-2,9,11,15,17-pentaen-8-one, 14-[(β-D-glucopyranosyloxy)methyl]-20,23-dihydroxy-6-methyl-, (1S,2Z,11Z,14R,17Z,20S,23S)- [ACD/Index Name]
β-D-Glucopyranoside de [(1S,2Z,11Z,14R,17Z,20S,23S)-20,23-dihydroxy-6-méthyl-8-oxo-7,24-dioxabicyclo[18.3.1]tétracosa-2,9,11,15,17-pentaén-14-yl]méthyle [French] [ACD/IUPAC Name]
Glycosylated macrolactam B1

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

Density: 1.3±0.1 g/cm3
Boiling Point: 832.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 137.6±6.0 kJ/mol
Flash Point: 266.6±27.8 °C
Index of Refraction: 1.600
Molar Refractivity: 150.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 0.57
ACD/LogD (pH 5.5): 0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 27.19
ACD/LogD (pH 7.4): 0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 27.18
Polar Surface Area: 175 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 64.9±5.0 dyne/cm
Molar Volume: 439.6±5.0 cm3

Click to predict properties on the Chemicalize site


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