ChemSpider 2D Image | (3E,5S,6R,7R,9R,11E,13S,14R)-14-Ethyl-13-hydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxooxacyclotetradeca-3,11-dien-6-yl 2-O-acetyl-3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside | C32H53NO9

(3E,5S,6R,7R,9R,11E,13S,14R)-14-Ethyl-13-hydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxooxacyclotetradeca-3,11-dien-6-yl 2-O-acetyl-3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranoside

  • Molecular FormulaC32H53NO9
  • Average mass595.765 Da
  • Monoisotopic mass595.372009 Da
  • ChemSpider ID8897556

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3E,5S,6R,7R,9R,11E,13S,14R)-14-Ethyl-13-hydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxooxacyclotetradeca-3,11-dien-6-yl 2-O-acetyl-3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranoside [ACD/IUPAC Name]
(3E,5S,6R,7R,9R,11E,13S,14R)-14-Ethyl-13-hydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxooxacyclotetradeca-3,11-dien-6-yl-2-O-acetyl-3,4,6-tridesoxy-3-(dimethylamino)-β-D-xylo-hexopyranosid [German] [ACD/IUPAC Name]
2-O-Acétyl-3,4,6-tridésoxy-3-(diméthylamino)-β-D-xylo-hexopyranoside de (3E,5S,6R,7R,9R,11E,13S,14R)-14-éthyl-13-hydroxy-7-méthoxy-3,5,7,9,11,13-hexaméthyl-2,10-dioxooxacyclotétradéca-3,11-dién-6-y le [French] [ACD/IUPAC Name]
Oxacyclotetradeca-3,11-diene-2,10-dione, 6-[[2-O-acetyl-3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]-14-ethyl-13-hydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-, (3E,5S,6R,7R,9R,11E,13S ,14R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 685.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.9±6.0 kJ/mol
Flash Point: 368.3±31.5 °C
Index of Refraction: 1.515
Molar Refractivity: 159.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 10.17
ACD/KOC (pH 5.5): 41.66
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 506.56
ACD/KOC (pH 7.4): 2075.18
Polar Surface Area: 121 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 43.2±5.0 dyne/cm
Molar Volume: 529.7±5.0 cm3

Click to predict properties on the Chemicalize site


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