ChemSpider 2D Image | (1R,3R,7R,10R,11R,14R,23R,24S,26R,31S,32S,33S,34R,35R)-11,23,24,35-Tetramethyl-16-methylene-29-vinyl-37,38,39,40,41-pentaoxa-21-azaoctacyclo[30.4.1.1~1,33~.1~3,7~.1~7,10~.1~10,14~.0~20,26~.0~26,31~]he ntetraconta-20,29-diene-11,34-diol | C42H63NO7

(1R,3R,7R,10R,11R,14R,23R,24S,26R,31S,32S,33S,34R,35R)-11,23,24,35-Tetramethyl-16-methylene-29-vinyl-37,38,39,40,41-pentaoxa-21-azaoctacyclo[30.4.1.11,33.13,7.17,10.110,14.020,26.026,31]he ntetraconta-20,29-diene-11,34-diol

  • Molecular FormulaC42H63NO7
  • Average mass693.952 Da
  • Monoisotopic mass693.460449 Da
  • ChemSpider ID111313571

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(1R,3R,7R,10R,11R,14R,23R,24S,26R,31S,32S,33S,34R,35R)-11,23,24,35-Tetramethyl-16-methylen-29-vinyl-37,38,39,40,41-pentaoxa-21-azaoctacyclo[30.4.1.11,33.13,7.17,10.110,14.020,26.026,31]hen tetraconta-20,29-dien-11,34-diol [German] [ACD/IUPAC Name]
(1R,3R,7R,10R,11R,14R,23R,24S,26R,31S,32S,33S,34R,35R)-11,23,24,35-Tetramethyl-16-methylene-29-vinyl-37,38,39,40,41-pentaoxa-21-azaoctacyclo[30.4.1.11,33.13,7.17,10.110,14.020,26.026,31]he ntetraconta-20,29-diene-11,34-diol [ACD/IUPAC Name]
(1R,3R,7R,10R,11R,14R,23R,24S,26R,31S,32S,33S,34R,35R)-11,23,24,35-Tétraméthyl-16-méthylène-29-vinyl-37,38,39,40,41-pentaoxa-21-azaoctacyclo[30.4.1.11,33.13,7.17,10.110,14.020,26.026,31]hé ntétraconta-20,29-diène-11,34-diol [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.628
Molar Refractivity: 189.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 10.33
ACD/LogD (pH 5.5): 6.76
ACD/BCF (pH 5.5): 28942.33
ACD/KOC (pH 5.5): 16224.41
ACD/LogD (pH 7.4): 8.02
ACD/BCF (pH 7.4): 531563.25
ACD/KOC (pH 7.4): 297982.13
Polar Surface Area: 99 Å2
Polarizability: 74.9±0.5 10-24cm3
Surface Tension: 47.0±7.0 dyne/cm
Molar Volume: 532.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement