Deprecated ChemSpider Record

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ChemSpider 2D Image | 2-ethyl-3,4,10-trihydroxy-13-(5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-11-[3-hydroxy-6-methyl-4-(methyl-prop-2-ynyl-amino)tetrahydropyran-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one | C40H72N2O12

2-ethyl-3,4,10-trihydroxy-13-(5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-11-[3-hydroxy-6-methyl-4-(methyl-prop-2-ynyl-amino)tetrahydropyran-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one

  • Molecular FormulaC40H72N2O12
  • Average mass773.006 Da
  • Monoisotopic mass772.508545 Da
  • ChemSpider ID19821728

More details:

Date of deprecation: 11:53, May 7, 2024
Reason for deprecation: Deprecate record:

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

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

Density: 1.2±0.0 g/cm3
Boiling Point: 846.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 139.8±0.0 kJ/mol
Flash Point: 465.4±0.0 °C
Index of Refraction: 1.542
Molar Refractivity: 204.6±0.0 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.72
ACD/LogD (pH 7.4): 2.64
ACD/BCF (pH 7.4): 31.00
ACD/KOC (pH 7.4): 186.27
Polar Surface Area: 180 Å2
Polarizability: 81.1±0.0 10-24cm3
Surface Tension: 52.3±0.0 dyne/cm
Molar Volume: 649.5±0.0 cm3

Click to predict properties on the Chemicalize site


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