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ChemSpider 2D Image | (1S,3S,6S,9S,12S,14R,16R,18S,20R,21S,22S,26R,29S,31R,32S,33R,35R,36S)-20-[(2S)-3-Amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-bis(methylene)-2,19,23,30,34,37,39,40,41-nonaoxanonacyclo[,3
2~.1~3,33~.1~6,9~.1~12,16~.0~18,22~.0~29,36~.0~31,35~]hentetracontan-24-one | C39H57NO12

(1S,3S,6S,9S,12S,14R,16R,18S,20R,21S,22S,26R,29S,31R,32S,33R,35R,36S)-20-[(2S)-3-Amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-bis(methylene)-2,19,23,30,34,37,39,40,41-nonaoxanonacyclo[,3 2.13,33.16,9.112,16.018,22.029,36.031,35]hentetracontan-24-one

  • Molecular FormulaC39H57NO12
  • Average mass731.869 Da
  • Monoisotopic mass731.388000 Da
  • ChemSpider ID21396142
  • defined stereocentres - 19 of 19 defined stereocentres

More details:

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

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

Density: 1.3±0.0 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.586
Molar Refractivity: 185.6±0.0 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.03
ACD/LogD (pH 7.4): 1.66
ACD/BCF (pH 7.4): 3.67
ACD/KOC (pH 7.4): 24.62
Polar Surface Area: 156 Å2
Polarizability: 73.6±0.0 10-24cm3
Surface Tension: 56.0±0.0 dyne/cm
Molar Volume: 553.1±0.0 cm3

Click to predict properties on the Chemicalize site