ChemSpider 2D Image | (1R,2S,3S,4R,8R,9R,10E,12E,15R)-8-Ethyl-4,16-dihydroxy-9-(hydroxymethyl)-3,11,15-trimethyl-6,14-dioxo-7-oxabicyclo[13.2.1]octadeca-10,12-dien-2-yl 3,6-dideoxy-3-(dimethylamino)-beta-D-glucopyranoside | C31H51NO10

(1R,2S,3S,4R,8R,9R,10E,12E,15R)-8-Ethyl-4,16-dihydroxy-9-(hydroxymethyl)-3,11,15-trimethyl-6,14-dioxo-7-oxabicyclo[13.2.1]octadeca-10,12-dien-2-yl 3,6-dideoxy-3-(dimethylamino)-β-D-glucopyranoside

  • Molecular FormulaC31H51NO10
  • Average mass597.737 Da
  • Monoisotopic mass597.351318 Da
  • ChemSpider ID10406593

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 13 defined stereocentres

More details:

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

(1R,2S,3S,4R,8R,9R,10E,12E,15R)-8-Ethyl-4,16-dihydroxy-9-(hydroxymethyl)-3,11,15-trimethyl-6,14-dioxo-7-oxabicyclo[13.2.1]octadeca-10,12-dien-2-yl 3,6-dideoxy-3-(dimethylamino)-β-D-glucopyranoside [ACD/IUPAC Name]
(1R,2S,3S,4R,8R,9R,10E,12E,15R)-8-Ethyl-4,16-dihydroxy-9-(hydroxymethyl)-3,11,15-trimethyl-6,14-dioxo-7-oxabicyclo[13.2.1]octadeca-10,12-dien-2-yl-3,6-didesoxy-3-(dimethylamino)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
3,6-Didésoxy-3-(diméthylamino)-β-D-glucopyranoside de (1R,2S,3S,4R,8R,9R,10E,12E,15R)-8-éthyl-4,16-dihydroxy-9-(hydroxyméthyl)-3,11,15-triméthyl-6,14-dioxo-7-oxabicyclo[13.2.1]octadéca-10,12-dién-2 -yle [French] [ACD/IUPAC Name]
7-Oxabicyclo[13.2.1]octadeca-10,12-diene-6,14-dione, 2-[[3,6-dideoxy-3-(dimethylamino)-β-D-glucopyranosyl]oxy]-8-ethyl-4,16-dihydroxy-9-(hydroxymethyl)-3,11,15-trimethyl-, (1R,2S,3S,4R,8R,9R,10E,12 E,15R)- [ACD/Index Name]
7-oxabicyclo[13.2.1]octadeca-10,12-diene-6,14-dione, 2-[[3,6-dideoxy-3-(dimethylamino)-β-D-glucopyranosyl]oxy]-8-ethyl-4,16-dihydroxy-9-(hydroxymethyl)-3,11,15-trimethyl-, (1R,2S,3S,4R,8R,9R,10E,12E,15R)-

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

Density: 1.3±0.1 g/cm3
Boiling Point: 804.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 133.2±6.0 kJ/mol
Flash Point: 440.3±34.3 °C
Index of Refraction: 1.567
Molar Refractivity: 155.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 0.50
ACD/LogD (pH 5.5): -1.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.55
ACD/BCF (pH 7.4): 1.29
ACD/KOC (pH 7.4): 33.97
Polar Surface Area: 166 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 56.7±5.0 dyne/cm
Molar Volume: 477.2±5.0 cm3

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