ChemSpider 2D Image | (1S,2E,7R,10Z,12E,15R,16E,18Z,21S,23R,25R)-21,25-Dihydroxy-7-methyl-9-oxo-8,24-dioxabicyclo[21.1.1]pentacosa-2,10,12,16,18-pentaen-15-yl beta-D-glucopyranoside | C30H44O11

(1S,2E,7R,10Z,12E,15R,16E,18Z,21S,23R,25R)-21,25-Dihydroxy-7-methyl-9-oxo-8,24-dioxabicyclo[21.1.1]pentacosa-2,10,12,16,18-pentaen-15-yl β-D-glucopyranoside

  • Molecular FormulaC30H44O11
  • Average mass580.664 Da
  • Monoisotopic mass580.288391 Da
  • ChemSpider ID32675082

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1S,2E,7R,10Z,12E,15R,16E,18Z,21S,23R,25R)-21,25-Dihydroxy-7-methyl-9-oxo-8,24-dioxabicyclo[21.1.1]pentacosa-2,10,12,16,18-pentaen-15-yl β-D-glucopyranoside [ACD/IUPAC Name]
(1S,2E,7R,10Z,12E,15R,16E,18Z,21S,23R,25R)-21,25-Dihydroxy-7-methyl-9-oxo-8,24-dioxabicyclo[21.1.1]pentacosa-2,10,12,16,18-pentaen-15-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
8,24-Dioxabicyclo[21.1.1]pentacosa-2,10,12,16,18-pentaen-9-one, 15-(β-D-glucopyranosyloxy)-21,25-dihydroxy-7-methyl-, (1S,2E,7R,10Z,12E,15R,16E,18Z,21S,23R,25R)- [ACD/Index Name]
β-D-Glucopyranoside de (1S,2E,7R,10Z,12E,15R,16E,18Z,21S,23R,25R)-21,25-dihydroxy-7-méthyl-9-oxo-8,24-dioxabicyclo[21.1.1]pentacosa-2,10,12,16,18-pentaén-15-yle [French] [ACD/IUPAC Name]
glycosylated macrolactin A1

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

Density: 1.3±0.1 g/cm3
Boiling Point: 852.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 140.9±6.0 kJ/mol
Flash Point: 273.8±27.8 °C
Index of Refraction: 1.599
Molar Refractivity: 150.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 0.33
ACD/LogD (pH 5.5): 0.61
ACD/BCF (pH 5.5): 1.72
ACD/KOC (pH 5.5): 51.26
ACD/LogD (pH 7.4): 0.61
ACD/BCF (pH 7.4): 1.72
ACD/KOC (pH 7.4): 51.26
Polar Surface Area: 175 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 64.4±5.0 dyne/cm
Molar Volume: 440.5±5.0 cm3

Click to predict properties on the Chemicalize site


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