Found 6 results

Search term: KTAIGLOGMSQPCG (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1R,3S,5S,5'R,10R)-3-Hydroxy-10-(hydroxymethyl)-4',4',5',14-tetramethyl-3',9,13-trioxodihydro-3'H-spiro[11,12-dithia-8,14-diazatetracyclo[8.2.2.0~1,8~.0~3,7~]tetradecane-5,2'-furan]-4-yl acetate | C20H26N2O8S2

(1R,3S,5S,5'R,10R)-3-Hydroxy-10-(hydroxymethyl)-4',4',5',14-tetramethyl-3',9,13-trioxodihydro-3'H-spiro[11,12-dithia-8,14-diazatetracyclo[8.2.2.01,8.03,7]tetradecane-5,2'-furan]-4-yl acetate

  • Molecular FormulaC20H26N2O8S2
  • Average mass486.559 Da
  • Monoisotopic mass486.113068 Da
  • ChemSpider ID24535835

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(1R,3S,5S,5'R,10R)-3-Hydroxy-10-(hydroxymethyl)-4',4',5',14-tetramethyl-3',9,13-trioxodihydro-3'H-spiro[11,12-dithia-8,14-diazatetracyclo[8.2.2.01,8.03,7]tetradecane-5,2'-furan]-4-yl acetate [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 733.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 122.2±6.0 kJ/mol
Flash Point: 397.3±32.9 °C
Index of Refraction: 1.688
Molar Refractivity: 115.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 1.16
ACD/LogD (pH 5.5): 0.81
ACD/BCF (pH 5.5): 2.43
ACD/KOC (pH 5.5): 65.63
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 2.43
ACD/KOC (pH 7.4): 65.63
Polar Surface Area: 184 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 83.1±5.0 dyne/cm
Molar Volume: 302.0±5.0 cm3

Click to predict properties on the Chemicalize site


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