ChemSpider 2D Image | bryostatin 14 | C42H64O16

bryostatin 14

  • Molecular FormulaC42H64O16
  • Average mass824.948 Da
  • Monoisotopic mass824.419434 Da
  • ChemSpider ID10315179

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-1,11,12,21-Tetrahydroxy-17-[(1R)-1-hydroxyethyl]-5,13-bis(2-methoxy-2-oxoethyliden)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3. ;1.13,7.111,15]nonacos-8-en-25-yl-2,2-dimethylpropanoat [German] [ACD/IUPAC Name]
(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-1,11,12,21-Tetrahydroxy-17-[(1R)-1-hydroxyethyl]-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3 ;.1.13,7.111,15]nonacos-8-en-25-yl 2,2-dimethylpropanoate [ACD/IUPAC Name]
2,2-Diméthylpropanoate de (1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-1,11,12,21-tétrahydroxy-17-[(1R)-1-hydroxyéthyl]-5,13-bis(2-méthoxy-2-oxoéthylidène)-10,10,26,26-tétraméthyl-19-oxo-18,27,28, ;29-tétraoxatétracyclo[21.3.1.13,7.111,15]nonacos-8-én-25-yle [French] [ACD/IUPAC Name]
bryostatin 14
Propanoic acid, 2,2-dimethyl-, (1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-1,11,12,21-tetrahydroxy-17-[(1R)-1-hydroxyethyl]-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,2 ;7,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-25-yl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 907.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 149.7±6.0 kJ/mol
Flash Point: 263.1±27.8 °C
Index of Refraction: 1.565
Molar Refractivity: 207.8±0.4 cm3
#H bond acceptors: 16
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 3.37
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 52.91
ACD/KOC (pH 5.5): 596.07
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 52.90
ACD/KOC (pH 7.4): 596.03
Polar Surface Area: 234 Å2
Polarizability: 82.4±0.5 10-24cm3
Surface Tension: 58.0±5.0 dyne/cm
Molar Volume: 638.2±5.0 cm3

Click to predict properties on the Chemicalize site


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