ChemSpider 2D Image | Tanespimycin | C31H43N3O8

Tanespimycin

  • Molecular FormulaC31H43N3O8
  • Average mass585.688 Da
  • Monoisotopic mass585.304993 Da
  • ChemSpider ID65322980

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(6E,8S,10E,12S,13R,14S,16R)-19-(Allylamino)-3,13-dihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-20,22-dioxo-2-azabicyclo[16.3.1]docosa-1(21),2,4,6,10,18-hexaen-9-yl hydrogen carbonimidate [ACD/IUPAC Name]
(6E,8S,10E,12S,13R,14S,16R)-19-(Allylamino)-3,13-dihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-20,22-dioxo-2-azabicyclo[16.3.1]docosa-1(21),2,4,6,10,18-hexaen-9-ylhydrogenkohlenstoffimidat [German] [ACD/IUPAC Name]
2-Azabicyclo[16.3.1]docosa-2,4,6,10,18,21-hexaene-20,22-dione, 3,13-dihydroxy-9-(hydroxyiminomethoxy)-8,14-dimethoxy-4,10,12,16-tetramethyl-19-(2-propen-1-ylamino)-, (6E,8S,10E,12S,13R,14S,16R)- [ACD/Index Name]
Hydrogénocarbonimidate de (6E,8S,10E,12S,13R,14S,16R)-19-(allylamino)-3,13-dihydroxy-8,14-diméthoxy-4,10,12,16-tétraméthyl-20,22-dioxo-2-azabicyclo[16.3.1]docosa-1(21),2,4,6,10,18-hexaén-9-yle [French] [ACD/IUPAC Name]
Tanespimycin [USAN] [Wiki]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 746.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 124.2±6.0 kJ/mol
Flash Point: 405.5±35.7 °C
Index of Refraction: 1.562
Molar Refractivity: 155.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 3.20
ACD/LogD (pH 5.5): 0.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.46
ACD/LogD (pH 7.4): -0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 171 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 42.1±7.0 dyne/cm
Molar Volume: 479.7±7.0 cm3

Click to predict properties on the Chemicalize site


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