ChemSpider 2D Image | (1S,3S,6R,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35R,36S)-20-[(2S)-3-Amino-2-hydroxypropyl]-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 | C40H59NO11

(1S,3S,6R,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35R,36S)-20-[(2S)-3-Amino-2-hydroxypropyl]-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 FormulaC40H59NO11
  • Average mass729.897 Da
  • Monoisotopic mass729.408813 Da
  • ChemSpider ID82963441
  • defined stereocentres - 19 of 19 defined stereocentres


More details:






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

(1S,3S,6R,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35R,36S)-20-[(2S)-3-Amino-2-hydroxypropyl]-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,6R,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35R,36S)-20-[(2S)-3-Amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylen-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.13,32.13, 33.16,9.112,16.018,22.029,36.031,35]hentetracontan-24-on [German] [ACD/IUPAC Name]
(1S,3S,6R,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35R,36S)-20-[(2S)-3-Amino-2-hydroxypropyl]-21-méthoxy-14-méthyl-8,15-diméthylène-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.13,32.13 ,33.16,9.112,16.018,22.029,36.031,35]héntétracontan-24-one [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.584
Molar Refractivity: 188.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.83
ACD/LogD (pH 7.4): 1.54
ACD/BCF (pH 7.4): 2.90
ACD/KOC (pH 7.4): 20.21
Polar Surface Area: 146 Å2
Polarizability: 74.7±0.5 10-24cm3
Surface Tension: 54.8±5.0 dyne/cm
Molar Volume: 563.2±5.0 cm3

Click to predict properties on the Chemicalize site






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