ChemSpider 2D Image | (3Z,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 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside | C30H51NO8

(3Z,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 3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranoside

  • Molecular FormulaC30H51NO8
  • Average mass553.728 Da
  • Monoisotopic mass553.361450 Da
  • ChemSpider ID9093934

  • 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

(3Z,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 3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranoside [ACD/IUPAC Name]
(3Z,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-3,4,6-tridesoxy-3-(dimethylamino)-β-D-xylo-hexopyranosid [German] [ACD/IUPAC Name]
3,4,6-Tridésoxy-3-(diméthylamino)-β-D-xylo-hexopyranoside de (3Z,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-yle [French] [ACD/IUPAC Name]
Oxacyclotetradeca-3,11-diene-2,10-dione, 14-ethyl-13-hydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]-, (3Z,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: 682.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.5±6.0 kJ/mol
Flash Point: 366.5±31.5 °C
Index of Refraction: 1.523
Molar Refractivity: 150.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 2.02
ACD/KOC (pH 5.5): 11.64
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 102.96
ACD/KOC (pH 7.4): 593.30
Polar Surface Area: 115 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 44.2±5.0 dyne/cm
Molar Volume: 492.1±5.0 cm3

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