ChemSpider 2D Image | (3R,4S,5R,6S,7S,11R,12S,13R,14R)-14-Ethyl-4,6,9,12-tetrahydroxy-9-(hydroxymethyl)-3,5,7,11,13-pentamethyloxacyclotetradecane-2,10-dione (non-preferred name) | C21H38O8

(3R,4S,5R,6S,7S,11R,12S,13R,14R)-14-Ethyl-4,6,9,12-tetrahydroxy-9-(hydroxymethyl)-3,5,7,11,13-pentamethyloxacyclotetradecane-2,10-dione (non-preferred name)

  • Molecular FormulaC21H38O8
  • Average mass418.522 Da
  • Monoisotopic mass418.256653 Da
  • ChemSpider ID78438587

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(3R,4S,5R,6S,7S,11R,12S,13R,14R)-14-Ethyl-4,6,9,12-tetrahydroxy-9-(hydroxymethyl)-3,5,7,11,13-pentamethyloxacyclotetradecan-2,10-dion (non-preferred name) [German] [ACD/IUPAC Name]
(3R,4S,5R,6S,7S,11R,12S,13R,14R)-14-Ethyl-4,6,9,12-tetrahydroxy-9-(hydroxymethyl)-3,5,7,11,13-pentamethyloxacyclotetradecane-2,10-dione (non-preferred name) [ACD/IUPAC Name]
(3R,4S,5R,6S,7S,11R,12S,13R,14R)-14-Éthyl-4,6,9,12-tétrahydroxy-9-(hydroxyméthyl)-3,5,7,11,13-pentaméthyloxacyclotétradécane-2,10-dione (non-preferred name) [French] [ACD/IUPAC Name]
6-Deoxy-8,17-dihydroxyerythronolide B

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

Density: 1.1±0.1 g/cm3
Boiling Point: 638.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.1±6.0 kJ/mol
Flash Point: 215.4±25.0 °C
Index of Refraction: 1.484
Molar Refractivity: 107.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -0.01
ACD/LogD (pH 5.5): 0.78
ACD/BCF (pH 5.5): 2.30
ACD/KOC (pH 5.5): 63.25
ACD/LogD (pH 7.4): 0.78
ACD/BCF (pH 7.4): 2.30
ACD/KOC (pH 7.4): 63.24
Polar Surface Area: 145 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 38.8±3.0 dyne/cm
Molar Volume: 374.9±3.0 cm3

Click to predict properties on the Chemicalize site


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