ChemSpider 2D Image | (1S,3S,5S,7S,10R,14R,16S,19S,21S,22S,23R,26S,27R,30S)-8,8,19,21,26-Pentamethyl-4,9,13,24,28,29-hexaoxanonacyclo[14.12.1.1~1,19~.0~3,5~.0~3,16~.0~7,14~.0~10,14~.0~22,30~.0~23,27~]triacontane-2,12,20,25 -tetrone | C29H34O10

(1S,3S,5S,7S,10R,14R,16S,19S,21S,22S,23R,26S,27R,30S)-8,8,19,21,26-Pentamethyl-4,9,13,24,28,29-hexaoxanonacyclo[14.12.1.11,19.03,5.03,16.07,14.010,14.022,30.023,27]triacontane-2,12,20,25 -tetrone

  • Molecular FormulaC29H34O10
  • Average mass542.574 Da
  • Monoisotopic mass542.215210 Da
  • ChemSpider ID24682607

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(1S,3S,5S,7S,10R,14R,16S,19S,21S,22S,23R,26S,27R,30S)-8,8,19,21,26-Pentamethyl-4,9,13,24,28,29-hexaoxanonacyclo[14.12.1.11,19.03,5.03,16.07,14.010,14.022,30.023,27]triacontan-2,12,20,25- tetron [German] [ACD/IUPAC Name]
(1S,3S,5S,7S,10R,14R,16S,19S,21S,22S,23R,26S,27R,30S)-8,8,19,21,26-Pentamethyl-4,9,13,24,28,29-hexaoxanonacyclo[14.12.1.11,19.03,5.03,16.07,14.010,14.022,30.023,27]triacontane-2,12,20,25 -tetrone [ACD/IUPAC Name]
(1S,3S,5S,7S,10R,14R,16S,19S,21S,22S,23R,26S,27R,30S)-8,8,19,21,26-Pentaméthyl-4,9,13,24,28,29-hexaoxanonacyclo[14.12.1.11,19.03,5.03,16.07,14.010,14.022,30.023,27]triacontane-2,12,20,25 -tétrone [French] [ACD/IUPAC Name]
8H,16H-7a,16a-Epoxy-2H,10H-3,9,12,15,17-pentaoxacyclopenta[3',3a']cycloprop[6',7']azuleno[6',5':5,6]cyclooct[1,2,3-cd]-as-indacene-2,5,10,16(1H)-tetrone, tetradecahydro-1,4,5a,13,13-pentamethyl-, (1S, 3aR,3bS,4S,5aS,7aS,8aR,11aR,13aS,14aS,15aS,16aS,16bS,17aR)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.623
Molar Refractivity: 128.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 2.46
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 17.48
ACD/KOC (pH 5.5): 269.80
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 17.48
ACD/KOC (pH 7.4): 269.80
Polar Surface Area: 127 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 63.0±5.0 dyne/cm
Molar Volume: 365.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement