ChemSpider 2D Image | 6-Cyclohexyl-24'-hydroxy-21'-(hydroxyimino)-5,11',13',22'-tetramethyl-2'-oxo-3,4,5,6-tetrahydrospiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.1~4,8~.0~20,24~]pentacosa[10,14,16,22]tetraen]-12'-yl 2, 6-dideoxy-3-O-methylhexopyranoside | C43H63NO11

6-Cyclohexyl-24'-hydroxy-21'-(hydroxyimino)-5,11',13',22'-tetramethyl-2'-oxo-3,4,5,6-tetrahydrospiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.14,8.020,24]pentacosa[10,14,16,22]tetraen]-12'-yl 2, 6-dideoxy-3-O-methylhexopyranoside

  • Molecular FormulaC43H63NO11
  • Average mass769.960 Da
  • Monoisotopic mass769.440125 Da
  • ChemSpider ID21235622

More details:

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

6-Cyclohexyl-24'-hydroxy-21'-(hydroxyimino)-5,11',13',22'-tetramethyl-2'-oxo-3,4,5,6-tetrahydrospiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.14,8.020,24]pentacosa[10,14,16,22]tetraen]-12'-yl 2, 6-dideoxy-3-O-methylhexopyranoside [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 917.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 151.4±6.0 kJ/mol
Flash Point: 508.4±34.3 °C
Index of Refraction: 1.618
Molar Refractivity: 199.0±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 6.83
ACD/LogD (pH 5.5): 6.50
ACD/BCF (pH 5.5): 51660.45
ACD/KOC (pH 5.5): 82273.30
ACD/LogD (pH 7.4): 6.50
ACD/BCF (pH 7.4): 51598.71
ACD/KOC (pH 7.4): 82174.98
Polar Surface Area: 155 Å2
Polarizability: 78.9±0.5 10-24cm3
Surface Tension: 47.7±7.0 dyne/cm
Molar Volume: 567.9±7.0 cm3

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