ChemSpider 2D Image | (1'R,2R,4'S,5S,6S,8'R,12'S,13'S,20'R,24'S)-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~.0~20,2 4~]pentacosa[10,14,16,22]tetraen]-12'-yl (4xi)-2,6-dideoxy-3-O-methyl-L-threo-hexopyranoside | C43H63NO11

(1'R,2R,4'S,5S,6S,8'R,12'S,13'S,20'R,24'S)-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[15.6.1.14,8.020,2 4]pentacosa[10,14,16,22]tetraen]-12'-yl (4ξ)-2,6-dideoxy-3-O-methyl-L-threo-hexopyranoside

  • Molecular FormulaC43H63NO11
  • Average mass769.960 Da
  • Monoisotopic mass769.440125 Da
  • ChemSpider ID5142902

  • defined stereocentres - 12 of 14 defined stereocentres

More details:

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

(1'R,2R,4'S,5S,6S,8'R,12'S,13'S,20'R,24'S)-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[15.6.1.14,8.020,2 4]pentacosa[10,14,16,22]tetraen]-12'-yl (4ξ)-2,6-dideoxy-3-O-methyl-L-threo-hexopyranoside [ACD/IUPAC Name]

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

KBio3_002433 [DBID]
SPBio_001546 [DBID]
Spectrum2_001583 [DBID]
Spectrum3_001607 [DBID]

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): 51659.76
ACD/KOC (pH 5.5): 82272.21
ACD/LogD (pH 7.4): 6.50
ACD/BCF (pH 7.4): 51545.48
ACD/KOC (pH 7.4): 82090.21
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

Click to predict properties on the Chemicalize site


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