Deprecated ChemSpider Record

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ChemSpider 2D Image | 14-Ethyl-12,13-dihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy]-6-{[3-hydroxy-6-methyl-4-(methylamino)tetrahydro-2H-pyran-2-yl]oxy}-7-methoxy-3,5,7,9,11,13-hexamethyloxacycl otetradecane-2,10-dione (non-preferred name) | C37H67NO13

14-Ethyl-12,13-dihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy]-6-{[3-hydroxy-6-methyl-4-(methylamino)tetrahydro-2H-pyran-2-yl]oxy}-7-methoxy-3,5,7,9,11,13-hexamethyloxacycl otetradecane-2,10-dione (non-preferred name)

  • Molecular FormulaC37H67NO13
  • Average mass733.927 Da
  • Monoisotopic mass733.461243 Da
  • ChemSpider ID19564792

More details:

Date of deprecation: 13:33, Feb 22, 2024
Reason for deprecation: Deprecate record: Testing Bad record 2

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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

14-Ethyl-12,13-dihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy]-6-{[3-hydroxy-6-methyl-4-(methylamino)tetrahydro-2H-pyran-2-yl]oxy}-7-methoxy-3,5,7,9,11,13-hexamethyloxacycl otetradecan-2,10-dion (non-preferred name) [German] [ACD/IUPAC Name]
14-Ethyl-12,13-dihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy]-6-{[3-hydroxy-6-methyl-4-(methylamino)tetrahydro-2H-pyran-2-yl]oxy}-7-methoxy-3,5,7,9,11,13-hexamethyloxacycl otetradecane-2,10-dione (non-preferred name) [ACD/IUPAC Name]
14-Éthyl-12,13-dihydroxy-4-[(5-hydroxy-4-méthoxy-4,6-diméthyltétrahydro-2H-pyran-2-yl)oxy]-6-{[3-hydroxy-6-méthyl-4-(méthylamino)tétrahydro-2H-pyran-2-yl]oxy}-7-méthoxy-3,5,7,9,11,13-hexaméthyloxacycl otétradécane-2,10-dione (non-preferred name) [French] [ACD/IUPAC Name]
101666-68-6 [RN]
N-Desmethyl Clarithromycin

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

Density: 1.2±0.0 g/cm3
Boiling Point: 804.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 133.2±0.0 kJ/mol
Flash Point: 440.3±0.0 °C
Index of Refraction: 1.525
Molar Refractivity: 189.1±0.0 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 2.67
ACD/LogD (pH 5.5): -0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.07
ACD/BCF (pH 7.4): 1.59
ACD/KOC (pH 7.4): 17.02
Polar Surface Area: 192 Å2
Polarizability: 75.0±0.0 10-24cm3
Surface Tension: 48.8±0.0 dyne/cm
Molar Volume: 617.1±0.0 cm3

Click to predict properties on the Chemicalize site


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