ChemSpider 2D Image | (1'R,2S,4'S,5S,6R,8'R,10'Z,12'S,13'S,14'Z,20'S,24'S)-6-Cyclohexyl-24'-hydroxy-5,11',13',22'-tetramethyl-2',21'-dioxo-5,6-dihydrospiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.1~4,8~.0~20,24~]pentaco
sa[10,14,16,22]tetraen]-12'-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside | C50H72O14

(1'R,2S,4'S,5S,6R,8'R,10'Z,12'S,13'S,14'Z,20'S,24'S)-6-Cyclohexyl-24'-hydroxy-5,11',13',22'-tetramethyl-2',21'-dioxo-5,6-dihydrospiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.14,8.020,24]pentaco sa[10,14,16,22]tetraen]-12'-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-α-L-arabino-hexopyranosyl)-3-O-methyl-α-L-arabino-hexopyranoside

  • Molecular FormulaC50H72O14
  • Average mass897.098 Da
  • Monoisotopic mass896.492188 Da
  • ChemSpider ID52324355
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 18 of 18 defined stereocentres


More details:






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

(1'R,2S,4'S,5S,6R,8'R,10'Z,12'S,13'S,14'Z,20'S,24'S)-6-Cyclohexyl-24'-hydroxy-5,11',13',22'-tetramethyl-2',21'-dioxo-5,6-dihydrospiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.14,8.020,24]pentaco sa[10,14,16,22]tetraen]-12'-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-α-L-arabino-hexopyranosyl)-3-O-methyl-α-L-arabino-hexopyranoside [ACD/IUPAC Name]
157483-78-8 [RN]
5-Dehydroxyl-5-oxodoramectin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 971.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 160.5±6.0 kJ/mol
Flash Point: 276.5±27.8 °C
Index of Refraction: 1.577
Molar Refractivity: 236.5±0.4 cm3
#H bond acceptors: 14
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 7.04
ACD/LogD (pH 5.5): 6.39
ACD/BCF (pH 5.5): 42441.33
ACD/KOC (pH 5.5): 71474.99
ACD/LogD (pH 7.4): 6.39
ACD/BCF (pH 7.4): 42439.98
ACD/KOC (pH 7.4): 71472.72
Polar Surface Area: 167 Å2
Polarizability: 93.7±0.5 10-24cm3
Surface Tension: 53.5±5.0 dyne/cm
Molar Volume: 713.8±5.0 cm3

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