ChemSpider 2D Image | (1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-Trimethyl-10-[(~13~C,~2~H_3_)methyloxy]-11,14,15,16-tetraoxatetracyclo[10.3.1.0~4,13~.0~8,13~]hexadecane | C1513CH23D3O5

(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-Trimethyl-10-[(13C,2H3)methyloxy]-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane

  • Molecular FormulaC1513CH23D3O5
  • Average mass302.386 Da
  • Monoisotopic mass302.200195 Da
  • ChemSpider ID58781734

  • defined stereocentres - 8 of 8 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-Trimethyl-10-[(13C,2H3)methyloxy]-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan [German] [ACD/IUPAC Name]
(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-Trimethyl-10-[(13C,2H3)methyloxy]-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane [ACD/IUPAC Name]
(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-Triméthyl-10-[(13C,2H3)méthyloxy]-11,14,15,16-tétraoxatétracyclo[10.3.1.04,13.08,13]hexadécane [French] [ACD/IUPAC Name]
3,12-Epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin, decahydro-3,6,9-trimethyl-10-(methyl-13C-d3-oxy)-, (3R,5aS,6R,8aS,9R,10S,12R,12aR)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.518
Molar Refractivity: 76.5±0.4 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 40.0±5.0 dyne/cm
Molar Volume: 252.5±5.0 cm3

Click to predict properties on the Chemicalize site


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