ChemSpider 2D Image | {(1'R,2S,3'R,8'R,12'Z,17'R,18'Z,20'Z,24'R,25'S)-17'-[(1R)-1-Acetoxyethyl]-13',25'-dimethyl-11',22'-dioxospiro[oxirane-2,26'-[2,10,16,23]tetraoxatetracyclo[22.2.1.0~3,8~.0~8,25~]heptacosa[4,12,18,20]te traen]-5'-yl}methyl acetate | C33H42O11

{(1'R,2S,3'R,8'R,12'Z,17'R,18'Z,20'Z,24'R,25'S)-17'-[(1R)-1-Acetoxyethyl]-13',25'-dimethyl-11',22'-dioxospiro[oxirane-2,26'-[2,10,16,23]tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa[4,12,18,20]te traen]-5'-yl}methyl acetate

  • Molecular FormulaC33H42O11
  • Average mass614.680 Da
  • Monoisotopic mass614.272705 Da
  • ChemSpider ID9160156

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

{(1'R,2S,3'R,8'R,12'Z,17'R,18'Z,20'Z,24'R,25'S)-17'-[(1R)-1-Acetoxyethyl]-13',25'-dimethyl-11',22'-dioxospiro[oxirane-2,26'-[2,10,16,23]tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa[4,12,18,20]te traen]-5'-yl}methyl acetate [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: 781.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.7±3.0 kJ/mol
Flash Point: 321.6±32.9 °C
Index of Refraction: 1.566
Molar Refractivity: 156.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.06
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 65.82
ACD/KOC (pH 5.5): 696.91
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 65.82
ACD/KOC (pH 7.4): 696.91
Polar Surface Area: 136 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 52.2±5.0 dyne/cm
Molar Volume: 479.7±5.0 cm3

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