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ChemSpider 2D Image | 2-(6-{6-[2-(5-Ethyl-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5.3]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxo-2-octanyl}-3,5-dimethyltetrahydro-2H-pyran-2 -yl)butanoic acid | C43H72O10

2-(6-{6-[2-(5-Ethyl-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5.3]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxo-2-octanyl}-3,5-dimethyltetrahydro-2H-pyran-2 -yl)butanoic acid

  • Molecular FormulaC43H72O10
  • Average mass749.026 Da
  • Monoisotopic mass748.512573 Da
  • ChemSpider ID2315231

More details:

Date of deprecation: 14:58, Aug 12, 2015
Reason for deprecation: Deprecate record: no defined stereochemistry

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Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-(6-{6-[2-(5-Ethyl-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5.3]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxo-2-octanyl}-3,5-dimethyltetrahydro-2H-pyran-2 -yl)butanoic acid [ACD/IUPAC Name]
2-(6-{6-[2-(5-Ethyl-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5.3]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxo-2-octanyl}-3,5-dimethyltetrahydro-2H-pyran-2 -yl)butansäure [German] [ACD/IUPAC Name]
2H-Pyran-2-acetic acid, α-ethyl-6-[5-[2-(5-ethyltetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5.3]pentadec-13-en-9-yl]-2-hydroxy-1,3-dimethyl-4-oxoheptyl]t etrahydro-3,5-dimethyl- [ACD/Index Name]
Acide 2-(6-{6-[2-(5-éthyl-5-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl)-2,10,12-triméthyl-1,6,8-trioxadispiro[4.1.5.3]pentadéc-13-én-9-yl]-3-hydroxy-4-méthyl-5-oxo-2-octanyl}-3,5-diméthyltétrahydro-2H-p yran-2-yl)butanoïque [French] [ACD/IUPAC Name]
2-(6-{6-[2-(5-ethyl-5-hydroxy-6-methyloxan-2-yl)-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5⁷.3⁵]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl}-3,5-dimethyloxan-2-yl)butanoic acid
20-Deoxy-epi-17-narasin
20-Deoxynarasin
70051-99-9 [RN]
Deoxy-epi-narasin
Narasin, 20-deoxy-17-epi-
More...

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

Density: 1.1±0.1 g/cm3
Boiling Point: 808.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 133.9±6.0 kJ/mol
Flash Point: 231.3±27.8 °C
Index of Refraction: 1.538
Molar Refractivity: 204.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 6.93
ACD/LogD (pH 5.5): 5.53
ACD/BCF (pH 5.5): 4915.05
ACD/KOC (pH 5.5): 7120.43
ACD/LogD (pH 7.4): 3.73
ACD/BCF (pH 7.4): 78.98
ACD/KOC (pH 7.4): 114.42
Polar Surface Area: 141 Å2
Polarizability: 80.9±0.5 10-24cm3
Surface Tension: 47.5±5.0 dyne/cm
Molar Volume: 652.4±5.0 cm3

Click to predict properties on the Chemicalize site


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