ChemSpider 2D Image | N-Hydroxy-1,3-bis{[(1S,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0~4,13~.0~8,13~]hexadec-10-yl]oxy}-2-propanimine | C33H51NO11

N-Hydroxy-1,3-bis{[(1S,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-10-yl]oxy}-2-propanimine

  • Molecular FormulaC33H51NO11
  • Average mass637.758 Da
  • Monoisotopic mass637.346191 Da
  • ChemSpider ID9723895
  • defined stereocentres - 16 of 16 defined stereocentres


More details:






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

2-Propanone, 1,3-bis[[(3S,5aS,6R,8aS,9R,10S,12R,12aR)-decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10-yl]oxy]-, oxime [ACD/Index Name]
N-Hydroxy-1,3-bis{[(1S,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-10-yl]oxy}-2-propanimin [German] [ACD/IUPAC Name]
N-Hydroxy-1,3-bis{[(1S,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-10-yl]oxy}-2-propanimine [ACD/IUPAC Name]
N-Hydroxy-1,3-bis{[(1S,4S,5R,8S,9R,10S,12R,13R)-1,5,9-triméthyl-11,14,15,16-tétraoxatétracyclo[10.3.1.04,13.08,13]hexadéc-10-yl]oxy}-2-propanimine [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 684.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 109.5±6.0 kJ/mol
Flash Point: 368.0±31.5 °C
Index of Refraction: 1.654
Molar Refractivity: 153.1±0.5 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 7.23
ACD/LogD (pH 5.5): 6.23
ACD/BCF (pH 5.5): 31762.14
ACD/KOC (pH 5.5): 58083.26
ACD/LogD (pH 7.4): 6.23
ACD/BCF (pH 7.4): 31753.98
ACD/KOC (pH 7.4): 58068.34
Polar Surface Area: 125 Å2
Polarizability: 60.7±0.5 10-24cm3
Surface Tension: 52.0±7.0 dyne/cm
Molar Volume: 417.7±7.0 cm3

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