ChemSpider 2D Image | (1'R,2S,4'S,5S,6R,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-21',24'-Dihydroxy-6-isopropyl-5,11',13',22'-tetramethyl-2'-oxo-5,6-dihydrospiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.1~4,8~.0~20,24 ~]pentacosa[10,14,16,22]tetraen]-12'-yl (5S)-2,4-dideoxy-4-(3-hydroxypropyl)-5-methyl-3-O-methyl-alpha-L-threo-pentopyranoside | C43H64O11

(1'R,2S,4'S,5S,6R,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-21',24'-Dihydroxy-6-isopropyl-5,11',13',22'-tetramethyl-2'-oxo-5,6-dihydrospiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.14,8.020,24 ]pentacosa[10,14,16,22]tetraen]-12'-yl (5S)-2,4-dideoxy-4-(3-hydroxypropyl)-5-methyl-3-O-methyl-α-L-threo-pentopyranoside

  • Molecular FormulaC43H64O11
  • Average mass756.962 Da
  • Monoisotopic mass756.444885 Da
  • ChemSpider ID8615519

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 15 of 15 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'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-21',24'-Dihydroxy-6-isopropyl-5,11',13',22'-tetramethyl-2'-oxo-5,6-dihydrospiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.14,8.020,24 ]pentacosa[10,14,16,22]tetraen]-12'-yl (5S)-2,4-dideoxy-4-(3-hydroxypropyl)-5-methyl-3-O-methyl-α-L-threo-pentopyranoside [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 874.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 144.4±6.0 kJ/mol
Flash Point: 256.9±27.8 °C
Index of Refraction: 1.573
Molar Refractivity: 204.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 5.25
ACD/LogD (pH 5.5): 5.46
ACD/BCF (pH 5.5): 8292.97
ACD/KOC (pH 5.5): 22212.78
ACD/LogD (pH 7.4): 5.46
ACD/BCF (pH 7.4): 8292.86
ACD/KOC (pH 7.4): 22212.49
Polar Surface Area: 142 Å2
Polarizability: 81.0±0.5 10-24cm3
Surface Tension: 51.8±5.0 dyne/cm
Molar Volume: 620.7±5.0 cm3

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