ChemSpider 2D Image | 13-deoxytedanolide | C32H50O10

13-deoxytedanolide

  • Molecular FormulaC32H50O10
  • Average mass594.733 Da
  • Monoisotopic mass594.340393 Da
  • ChemSpider ID10473090
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 12 defined stereocentres


More details:






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

(3R,4S,5S,7R,8R,9E,11S,15R,17R)-3,8-Dihydroxy-17-[(S)-hydroxy{(3R)-2-methyl-3-[(2S,3Z)-3-penten-2-yl]-2-oxiranyl}methyl]-4-methoxy-5,7,9,11,15-pentamethyloxacyclooctadec-9-en-2,6,12,16-tetron (non-pre ferred name) [German] [ACD/IUPAC Name]
(3R,4S,5S,7R,8R,9E,11S,15R,17R)-3,8-Dihydroxy-17-[(S)-hydroxy{(3R)-2-methyl-3-[(2S,3Z)-3-penten-2-yl]-2-oxiranyl}methyl]-4-methoxy-5,7,9,11,15-pentamethyloxacyclooctadec-9-ene-2,6,12,16-tetrone (non-p referred name) [ACD/IUPAC Name]
(3R,4S,5S,7R,8R,9E,11S,15R,17R)-3,8-Dihydroxy-17-[(S)-hydroxy{(3R)-2-méthyl-3-[(2S,3Z)-3-pentén-2-yl]-2-oxiranyl}méthyl]-4-méthoxy-5,7,9,11,15-pentaméthyloxacyclooctadéc-9-ène-2,6,12,16-tétrone (non-p referred name) [French] [ACD/IUPAC Name]
13-deoxytedanolide
13T

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 749.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 124.7±6.0 kJ/mol
Flash Point: 231.5±26.4 °C
Index of Refraction: 1.530
Molar Refractivity: 155.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 1.88
ACD/LogD (pH 5.5): 2.10
ACD/BCF (pH 5.5): 23.39
ACD/KOC (pH 5.5): 332.35
ACD/LogD (pH 7.4): 2.10
ACD/BCF (pH 7.4): 23.39
ACD/KOC (pH 7.4): 332.34
Polar Surface Area: 160 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 48.5±5.0 dyne/cm
Molar Volume: 504.3±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement