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)-6-[(2S)-2-Butanyl]-21',24'-dihydroxy-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 2,6-dideoxy-3-O-methyl-4-O-{2,4,6-trideoxy-4-[isopropyl(methyl)amino]-3-O-methyl-alpha-D-lyxo-hexopyranosyl}-alpha-L-arabino-hexopyranoside | C52H81NO13

(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)-6-[(2S)-2-Butanyl]-21',24'-dihydroxy-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 2,6-dideoxy-3-O-methyl-4-O-{2,4,6-trideoxy-4-[isopropyl(methyl)amino]-3-O-methyl-α-D-lyxo-hexopyranosyl}-α-L-arabino-hexopyranoside

  • Molecular FormulaC52H81NO13
  • Average mass928.198 Da
  • Monoisotopic mass927.570801 Da
  • ChemSpider ID8366872

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 20 of 20 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)-6-[(2S)-2-Butanyl]-21',24'-dihydroxy-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 2,6-dideoxy-3-O-methyl-4-O-{2,4,6-trideoxy-4-[isopropyl(methyl)amino]-3-O-methyl-α-D-lyxo-hexopyranosyl}-α-L-arabino-hexopyranoside [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: 945.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 156.1±6.0 kJ/mol
Flash Point: 525.5±34.3 °C
Index of Refraction: 1.562
Molar Refractivity: 251.5±0.4 cm3
#H bond acceptors: 14
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 8.21
ACD/LogD (pH 5.5): 4.41
ACD/BCF (pH 5.5): 259.33
ACD/KOC (pH 5.5): 272.50
ACD/LogD (pH 7.4): 5.81
ACD/BCF (pH 7.4): 6514.15
ACD/KOC (pH 7.4): 6844.89
Polar Surface Area: 153 Å2
Polarizability: 99.7±0.5 10-24cm3
Surface Tension: 49.6±5.0 dyne/cm
Molar Volume: 775.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement