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ChemSpider 2D Image | 2-epi-discodermolide | C33H55NO8

2-epi-discodermolide

  • Molecular FormulaC33H55NO8
  • Average mass593.792 Da
  • Monoisotopic mass593.392761 Da
  • ChemSpider ID10479212

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 13 defined stereocentres

More details:

Date of deprecation: 10:10, Aug 26, 2015
Reason for deprecation: Deprecate record: there are no supporting data sources.

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

(3Z,5R,6R,7R,8S,9R,11Z,13S,14S,15S,16Z,18R)-8,14,18-Trihydroxy-19-[(3S,4R,5R)-4-hydroxy-3,5-dimethyl-6-oxotetrahydro-2H-pyran-2-yl]-5,7,9,11,13,15-hexamethyl-1,3,11,16-nonadecatetraen-6-yl carbamate ( non-preferred name) [ACD/IUPAC Name]
(3Z,5R,6R,7R,8S,9R,11Z,13S,14S,15S,16Z,18R)-8,14,18-Trihydroxy-19-[(3S,4R,5R)-4-hydroxy-3,5-dimethyl-6-oxotetrahydro-2H-pyran-2-yl]-5,7,9,11,13,15-hexamethyl-1,3,11,16-nonadecatetraen-6-ylcarbamat (no n-preferred name) [German] [ACD/IUPAC Name]
2-epi-discodermolide
Carbamate de (3Z,5R,6R,7R,8S,9R,11Z,13S,14S,15S,16Z,18R)-8,14,18-trihydroxy-19-[(3S,4R,5R)-4-hydroxy-3,5-diméthyl-6-oxotétrahydro-2H-pyran-2-yl]-5,7,9,11,13,15-hexaméthyl-1,3,11,16-nonadécatétraén-6-y le [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 776.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.8±6.0 kJ/mol
Flash Point: 423.3±32.9 °C
Index of Refraction: 1.521
Molar Refractivity: 165.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 433.48
ACD/KOC (pH 5.5): 2686.23
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 433.47
ACD/KOC (pH 7.4): 2686.22
Polar Surface Area: 160 Å2
Polarizability: 65.6±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 543.5±3.0 cm3

Click to predict properties on the Chemicalize site


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