ChemSpider 2D Image | (2R,4S,5R,6S,7S,8R,9R,12R)-12-Acetoxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0~1,6~]dodecane-4,5,7,8-tetrayl tetrabenzoate | C45H44O11

(2R,4S,5R,6S,7S,8R,9R,12R)-12-Acetoxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecane-4,5,7,8-tetrayl tetrabenzoate

  • Molecular FormulaC45H44O11
  • Average mass760.824 Da
  • Monoisotopic mass760.288391 Da
  • ChemSpider ID140318

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(2R,4S,5R,6S,7S,8R,9R,12R)-12-Acetoxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-4,5,7,8-tetrayl-tetrabenzoat [German] [ACD/IUPAC Name]
(2R,4S,5R,6S,7S,8R,9R,12R)-12-Acetoxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecane-4,5,7,8-tetrayl tetrabenzoate [ACD/IUPAC Name]
2H-3,9a-Methano-1-benzoxepin-4,5,6,7,10-pentol, octahydro-2,2,5a,9-tetramethyl-, 10-acetate 4,5,6,7-tetrabenzoate, (3R,4R,5S,5aS,6R,7S,9R,10R)- [ACD/Index Name]
Tetrabenzoate de (2R,4S,5R,6S,7S,8R,9R,12R)-12-acétoxy-2,6,10,10-tétraméthyl-11-oxatricyclo[7.2.1.01,6]dodécane-4,5,7,8-tétrayle [French] [ACD/IUPAC Name]
132536-78-8 [RN]
Triptogelin A-1

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

CCRIS 7111 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 790.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 114.9±3.0 kJ/mol
Flash Point: 315.3±32.9 °C
Index of Refraction: 1.623
Molar Refractivity: 202.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 12.06
ACD/LogD (pH 5.5): 10.55
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.55
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 141 Å2
Polarizability: 80.4±0.5 10-24cm3
Surface Tension: 59.8±5.0 dyne/cm
Molar Volume: 575.7±5.0 cm3

Click to predict properties on the Chemicalize site


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