ChemSpider 2D Image | (3R,5R,6S,7S,9R,11E,13S,14R)-14-Ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-2,4,10-trioxooxacyclotetradec-11-en-6-yl 3,4,6-trideoxy-3-(dimethylammonio)-beta-D-xylo-hexopyranoside | C28H48NO8

(3R,5R,6S,7S,9R,11E,13S,14R)-14-Ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-2,4,10-trioxooxacyclotetradec-11-en-6-yl 3,4,6-trideoxy-3-(dimethylammonio)-β-D-xylo-hexopyranoside

  • Molecular FormulaC28H48NO8
  • Average mass526.682 Da
  • Monoisotopic mass526.337463 Da
  • ChemSpider ID24890649
  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres


More details:






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

(3R,5R,6S,7S,9R,11E,13S,14R)-14-Ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-2,4,10-trioxooxacyclotetradec-11-en-6-yl 3,4,6-trideoxy-3-(dimethylammonio)-β-D-xylo-hexopyranoside [ACD/IUPAC Name]
(3R,5R,6S,7S,9R,11E,13S,14R)-14-Ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-2,4,10-trioxooxacyclotetradec-11-en-6-yl-3,4,6-tridesoxy-3-(dimethylammonio)-β-D-xylo-hexopyranosid [German] [ACD/IUPAC Name]
3,4,6-Tridésoxy-3-(diméthylammonio)-β-D-xylo-hexopyranoside de (3R,5R,6S,7S,9R,11E,13S,14R)-14-éthyl-13-hydroxy-3,5,7,9,13-pentaméthyl-2,4,10-trioxooxacyclotétradéc-11-én-6-yle [French] [ACD/IUPAC Name]
Oxacyclotetradec-11-ene-2,4,10-trione, 14-ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]-, conjugate acid, (3R,5R,6S,7S,9R,11E,13S,14R)- [ACD/Index Name]
(3R,5R,6S,7S,9R,11E,13S,14R)-14-ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-2,4,10-trioxooxacyclotetradec-11-en-6-yl 3,4,6-trideoxy-3-(dimethylazaniumyl)-β-D-xylo-hexopyranoside
pikromycin
pikromycin(1+)

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

Density:
Boiling Point: 688.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.4±6.0 kJ/mol
Flash Point: 369.9±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 1.72
ACD/LogD (pH 5.5): -0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.63
ACD/LogD (pH 7.4): 1.61
ACD/BCF (pH 7.4): 6.61
ACD/KOC (pH 7.4): 83.35
Polar Surface Area: 124 Å2
Polarizability:
Surface Tension:
Molar Volume:

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