ChemSpider 2D Image | cortistatin D | C30H34N2O5

cortistatin D

  • Molecular FormulaC30H34N2O5
  • Average mass502.601 Da
  • Monoisotopic mass502.246765 Da
  • ChemSpider ID9737210

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,2R,3S,5R,8β,17α)-3-(Dimethylamino)-1,2,17-trihydroxy-17-(7-isochinolinyl)-5,8-epoxy-9,19-cyclo-9,10-secoandrosta-9(11),10-dien-16-on [German] [ACD/IUPAC Name]
(1R,2R,3S,5R,8β,17α)-3-(Diméthylamino)-1,2,17-trihydroxy-17-(7-isoquinoléinyl)-5,8-époxy-9,19-cyclo-9,10-sécoandrosta-9(11),10-dién-16-one [French] [ACD/IUPAC Name]
(1R,2R,3S,5R,8β,17α)-3-(Dimethylamino)-1,2,17-trihydroxy-17-(7-isoquinolinyl)-5,8-epoxy-9,19-cyclo-9,10-secoandrosta-9(11),10-dien-16-one [ACD/IUPAC Name]
10a,12a-Epoxybenzo[4,5]cyclohept[1,2-e]inden-2(3H)-one, 9-(dimethylamino)-1,3a,4,7,8,9,10,11,12,12b-decahydro-3,7,8-trihydroxy-3-(7-isoquinolinyl)-3a-methyl-, (3R,3aS,7R,8R,9S,10aR,12aS,12bR)- [ACD/Index Name]
882976-98-9 [RN]
cortistatin D
(-)-cortistatin D
(1R,2R,3S,5R)-3-(dimethylamino)-1,2,17α-trihydroxy-17β-(isoquinolin-7-yl)-5,8α-epoxy-9,19-cyclo-9,10-secoandrosta-9(11),10-dien-16-one
(1R,2R,3S,5R,8α,17α)-3-(dimethylamino)-1,2,17-trihydroxy-17-(isoquinolin-7-yl)-5,8-epoxy-9,19-cyclo-9,10-secoandrosta-9(11),10-dien-16-one

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

YZT97E2Q3F [DBID]
UNII:YZT97E2Q3F [DBID]
UNII-YZT97E2Q3F [DBID]
  • Miscellaneous

    • Chemical Class:

      A member of the class of cortistatins that is cortistatin C in which the hydrogen at position 17 has been replaced by a hydroxy group. ChEBI CHEBI:67175

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

Density: 1.4±0.1 g/cm3
Boiling Point: 775.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.4±3.0 kJ/mol
Flash Point: 422.8±32.9 °C
Index of Refraction: 1.708
Molar Refractivity: 138.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 0.00
ACD/LogD (pH 5.5): -2.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.22
Polar Surface Area: 103 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 74.6±5.0 dyne/cm
Molar Volume: 355.8±5.0 cm3

Click to predict properties on the Chemicalize site


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