ChemSpider 2D Image | (5S,6S,7R,9R,11E,13E,15S,16R)-16-Ethyl-4-hydroxy-7-{2-[(2-hydroxyethyl)amino]ethyl}-5,9,13,15-tetramethyl-2,10-dioxooxacyclohexadeca-11,13-dien-6-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopy ranoside | C33H58N2O8

(5S,6S,7R,9R,11E,13E,15S,16R)-16-Ethyl-4-hydroxy-7-{2-[(2-hydroxyethyl)amino]ethyl}-5,9,13,15-tetramethyl-2,10-dioxooxacyclohexadeca-11,13-dien-6-yl 3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopy ranoside

  • Molecular FormulaC33H58N2O8
  • Average mass610.822 Da
  • Monoisotopic mass610.419312 Da
  • ChemSpider ID8802929

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 11 defined stereocentres

More details:

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

(5S,6S,7R,9R,11E,13E,15S,16R)-16-Ethyl-4-hydroxy-7-{2-[(2-hydroxyethyl)amino]ethyl}-5,9,13,15-tetramethyl-2,10-dioxooxacyclohexadeca-11,13-dien-6-yl 3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopy ranoside [ACD/IUPAC Name]
(5S,6S,7R,9R,11E,13E,15S,16R)-16-Ethyl-4-hydroxy-7-{2-[(2-hydroxyethyl)amino]ethyl}-5,9,13,15-tetramethyl-2,10-dioxooxacyclohexadeca-11,13-dien-6-yl-3,4,6-tridesoxy-3-(dimethylamino)-β-D-xylo-hexop yranosid [German] [ACD/IUPAC Name]
3,4,6-Tridésoxy-3-(diméthylamino)-β-D-xylo-hexopyranoside de (5S,6S,7R,9R,11E,13E,15S,16R)-16-éthyl-4-hydroxy-7-{2-[(2-hydroxyéthyl)amino]éthyl}-5,9,13,15-tétraméthyl-2,10-dioxooxacyclohexadéca-11, 13-dién-6-yle [French] [ACD/IUPAC Name]
Oxacyclohexadeca-11,13-diene-2,10-dione, 16-ethyl-4-hydroxy-7-[2-[(2-hydroxyethyl)amino]ethyl]-5,9,13,15-tetramethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]-, (5S,6S,7R,9R, 11E,13E,15S,16R)- [ACD/Index Name]
(11E,13E)-(5S,6S,7R,9R,15S,16R)-6-((2S,3R,4S,6R)-4-Dimethylamino-3-hydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-16-ethyl-4-hydroxy-7-[2-(2-hydroxy-ethylamino)-ethyl]-5,9,13,15-tetramethyl-oxacyclohexadeca-11,13-diene-2,10-dione
(5S,6S,7R,9R,11E,13E,15S,16R)-16-ethyl-4-hydroxy-7-{2-[(2-hydroxyethyl)amino]ethyl}-5,9,13,15-tetramethyl-2,10-dioxooxacyclohexadeca-11,13-dien-6-yl 3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranoside
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL267254/
oxacyclohexadeca-11,13-diene-2,10-dione, 16-ethyl-4-hydroxy-7-[2-[(2-hydroxyethyl)amino]ethyl]-5,9,13,15-tetramethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]-, (5S,6S,7R,9R,11E,13E,15S,16R)-

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

Density: 1.1±0.1 g/cm3
Boiling Point: 772.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.2±6.0 kJ/mol
Flash Point: 421.1±32.9 °C
Index of Refraction: 1.533
Molar Refractivity: 167.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.85
ACD/LogD (pH 5.5): -1.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 138 Å2
Polarizability: 66.5±0.5 10-24cm3
Surface Tension: 47.7±5.0 dyne/cm
Molar Volume: 540.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement