ChemSpider 2D Image | (1R,4R,5R,8S,9R,10S,12R,13S)-10-Ethoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0~4,13~.0~8,13~]hexadec-3-yl 2-deoxy-2-methyl-beta-L-glucopyranosiduronic acid | C24H38O11

(1R,4R,5R,8S,9R,10S,12R,13S)-10-Ethoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-3-yl 2-deoxy-2-methyl-β-L-glucopyranosiduronic acid

  • Molecular FormulaC24H38O11
  • Average mass502.552 Da
  • Monoisotopic mass502.241425 Da
  • ChemSpider ID25032062
  • defined stereocentres - 13 of 14 defined stereocentres


More details:






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

(1R,4R,5R,8S,9R,10S,12R,13S)-10-Ethoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-3-yl 2-deoxy-2-methyl-β-L-glucopyranosiduronic acid [ACD/IUPAC Name]
(1R,4R,5R,8S,9R,10S,12R,13S)-10-Ethoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-3-yl-2-desoxy-2-methyl-β-L-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide 2-désoxy-2-méthyl-β-L-glucopyranosiduronique de (1R,4R,5R,8S,9R,10S,12R,13S)-10-éthoxy-1,5,9-triméthyl-11,14,15,16-tétraoxatétracyclo[10.3.1.04,13.08,13]hexadéc-3-yle [French] [ACD/IUPAC Name]
β-L-Glucopyranosiduronic acid, (3R,5aR,6R,8aS,9R,10S,12R,12aS)-10-ethoxydecahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-5-yl 2-deoxy-2-methyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 635.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 107.6±6.0 kJ/mol
Flash Point: 210.1±25.0 °C
Index of Refraction: 1.565
Molar Refractivity: 119.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 3.35
ACD/LogD (pH 5.5): -0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 142 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 57.3±5.0 dyne/cm
Molar Volume: 367.4±5.0 cm3

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