ChemSpider 2D Image | (1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35S,36S)-20-(2-Hydroxyhexyl)-21-methoxy-14-methyl-8,15-bis(methylene)-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.1~3,32~.1~3,33~.1~6,9~ .1~12,16~.0~18,22~.0~29,36~.0~31,35~]hentetracontan-24-one | C43H64O11

(1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35S,36S)-20-(2-Hydroxyhexyl)-21-methoxy-14-methyl-8,15-bis(methylene)-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.13,32.13,33.16,9 .112,16.018,22.029,36.031,35]hentetracontan-24-one

  • Molecular FormulaC43H64O11
  • Average mass756.962 Da
  • Monoisotopic mass756.444885 Da
  • ChemSpider ID28650138

  • defined stereocentres - 18 of 19 defined stereocentres

More details:

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

(1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35S,36S)-20-(2-Hydroxyhexyl)-21-methoxy-14-methyl-8,15-bis(methylene)-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.13,32.13,33.16,9 .112,16.018,22.029,36.031,35]hentetracontan-24-one [ACD/IUPAC Name]
(1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35S,36S)-20-(2-Hydroxyhexyl)-21-methoxy-14-methyl-8,15-dimethylen-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.13,32.13,33.16,9.11 2,16.018,22.029,36.031,35]hentetracontan-24-on [German] [ACD/IUPAC Name]
(1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35S,36S)-20-(2-Hydroxyhexyl)-21-méthoxy-14-méthyl-8,15-diméthylène-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.13,32.13,33.16,9.1 12,16.018,22.029,36.031,35]héntétracontan-24-one [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.568
Molar Refractivity: 198.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 6.43
ACD/LogD (pH 5.5): 6.04
ACD/BCF (pH 5.5): 22888.72
ACD/KOC (pH 5.5): 45941.25
ACD/LogD (pH 7.4): 6.04
ACD/BCF (pH 7.4): 22888.72
ACD/KOC (pH 7.4): 45941.25
Polar Surface Area: 120 Å2
Polarizability: 78.8±0.5 10-24cm3
Surface Tension: 50.9±5.0 dyne/cm
Molar Volume: 607.8±5.0 cm3

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