ChemSpider 2D Image | Annonin I | C37H66O7

Annonin I

  • Molecular FormulaC37H66O7
  • Average mass622.916 Da
  • Monoisotopic mass622.480835 Da
  • ChemSpider ID390266
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

(5S)-3-[(13R)-13-{(2R,2'R,5R,5'R)-5'-[(1S,5S)-1,5-Dihydroxyundecyl]octahydro-2,2'-bifuran-5-yl}-13-hydroxytridecyl]-5-methyl-2(5H)-furanon [German] [ACD/IUPAC Name]
(5S)-3-[(13R)-13-{(2R,2'R,5R,5'R)-5'-[(1S,5S)-1,5-Dihydroxyundecyl]octahydro-2,2'-bifuran-5-yl}-13-hydroxytridecyl]-5-methyl-2(5H)-furanone [ACD/IUPAC Name]
(5S)-3-[(13R)-13-{(2R,2'R,5R,5'R)-5'-[(1S,5S)-1,5-Dihydroxyundécyl]octahydro-2,2'-bifuran-5-yl}-13-hydroxytridécyl]-5-méthyl-2(5H)-furanone [French] [ACD/IUPAC Name]
2(5H)-Furanone, 3-[(13R)-13-[(2R,2'R,5R,5'R)-5'-[(1S,5S)-1,5-dihydroxyundecyl]octahydro[2,2'-bifuran]-5-yl]-13-hydroxytridecyl]-5-methyl-, (5S)- [ACD/Index Name]
Annonin I
Squamocin
(5S)-3-[(13R)-13-[(2R,5R)-5-[(2R,5R)-5-[(1S,5S)-1,5-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-13-hydroxytridecyl]-5-methyl-2,5-dihydrofuran-2-one
120298-30-8 [RN]
129214-51-3 [RN]
2(5H)-Furanone,3-[(13R)-13-[(2R,2'R,5R,5'R)-5'-[(1S,5S)-1,5-dihydroxyundecyl]octahydro[2,2'-bifuran]-5-yl]-13-hydroxytridecyl]-5-methyl-,(5S)-
More...

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

C08545 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 766.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 127.3±6.0 kJ/mol
Flash Point: 228.1±20.8 °C
Index of Refraction: 1.509
Molar Refractivity: 176.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 2
ACD/LogP: 7.15
ACD/LogD (pH 5.5): 7.18
ACD/BCF (pH 5.5): 167058.45
ACD/KOC (pH 5.5): 190592.61
ACD/LogD (pH 7.4): 7.18
ACD/BCF (pH 7.4): 167058.45
ACD/KOC (pH 7.4): 190592.61
Polar Surface Area: 105 Å2
Polarizability: 69.9±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 591.0±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement