ChemSpider 2D Image | (3R,8R,13S,18S,23S,28R,33S,38S,41R,42S,43R,44R,45R,46R,47R,48R,49R,50R,51R,52R,53R,54R,55R,56S)-5,10,15,20,25,30,35,40-Octakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanon acyclo[36.2.2.2~3,6~.2~8,11~.2~13,16~.2~18,21~.2~23,26~.2~28,31~.2~33,36~]hexapentacontane-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecol | C48H80O40

(3R,8R,13S,18S,23S,28R,33S,38S,41R,42S,43R,44R,45R,46R,47R,48R,49R,50R,51R,52R,53R,54R,55R,56S)-5,10,15,20,25,30,35,40-Octakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanon acyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontane-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecol

  • Molecular FormulaC48H80O40
  • Average mass1297.125 Da
  • Monoisotopic mass1296.422607 Da
  • ChemSpider ID2010972

  • defined stereocentres - 24 of 40 defined stereocentres

More details:

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

(3R,8R,13S,18S,23S,28R,33S,38S,41R,42S,43R,44R,45R,46R,47R,48R,49R,50R,51R,52R,53R,54R,55R,56S)-5,10,15,20,25,30,35,40-Octakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanon ;acyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontan-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecol [German] [ACD/IUPAC Name]
(3R,8R,13S,18S,23S,28R,33S,38S,41R,42S,43R,44R,45R,46R,47R,48R,49R,50R,51R,52R,53R,54R,55R,56S)-5,10,15,20,25,30,35,40-Octakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanon ;acyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontane-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecol [ACD/IUPAC Name]
(3R,8R,13S,18S,23S,28R,33S,38S,41R,42S,43R,44R,45R,46R,47R,48R,49R,50R,51R,52R,53R,54R,55R,56S)-5,10,15,20,25,30,35,40-Octakis(hydroxyméthyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadécaoxanon ;acyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontane-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadécol [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.591
Molar Refractivity: 269.8±0.3 cm3
#H bond acceptors: 40
#H bond donors: 24
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -8.97
ACD/LogD (pH 5.5): -9.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 633 Å2
Polarizability: 107.0±0.5 10-24cm3
Surface Tension: 73.9±3.0 dyne/cm
Molar Volume: 798.6±3.0 cm3

Click to predict properties on the Chemicalize site


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