ChemSpider 2D Image | laurendecumallene A | C15H22Br2O4

laurendecumallene A

  • Molecular FormulaC15H22Br2O4
  • Average mass426.141 Da
  • Monoisotopic mass423.988464 Da
  • ChemSpider ID23076549

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(1R,10S)-1,8:7,10-dianhydro-2-bromo-10-[(1R)-3-bromopropadienyl]-2,3,6,9-tetradeoxy-1-ethyl-D-glycero-L-gulo-decitol
(2S,3aR,5R,6S,8R,9R,10aR)-6-Brom-2-[(1S)-3-brompropadienyl]-5-ethyldecahydrofuro[3,2-b]oxonin-8,9-diol [German] [ACD/IUPAC Name]
(2S,3aR,5R,6S,8R,9R,10aR)-6-Bromo-2-[(1S)-3-bromopropadienyl]-5-ethyldecahydrofuro[3,2-b]oxonine-8,9-diol [ACD/IUPAC Name]
(2S,3aR,5R,6S,8R,9R,10aR)-6-Bromo-2-[(1S)-3-bromopropadiényl]-5-éthyldécahydrofuro[3,2-b]oxonine-8,9-diol [French] [ACD/IUPAC Name]
D-glycero-L-gulo-Decitol, 1,8:7,10-dianhydro-2-bromo-10-C-[(1S)-3-bromo-1,2-propadienyl]-2,3,6,9-tetradeoxy-1-C-ethyl-, (1R,10S)- [ACD/Index Name]
laurendecumallene A
4:7,6:13-bisepoxy-9,10-diol-1,12-dibromopentadeca-1,2-diene
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL398629/

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

Density: 1.6±0.1 g/cm3
Boiling Point: 505.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 89.2±6.0 kJ/mol
Flash Point: 259.2±30.1 °C
Index of Refraction: 1.591
Molar Refractivity: 91.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.20
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 50.71
ACD/KOC (pH 5.5): 578.24
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 50.71
ACD/KOC (pH 7.4): 578.24
Polar Surface Area: 59 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 42.1±3.0 dyne/cm
Molar Volume: 269.6±3.0 cm3

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