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-[ethyl(methyl)amino]-3-O-methyl-alpha-D-lyxo-hexopyranosyl}-alpha-L-arabino-hexopyranoside | C51H79NO13

(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-[ethyl(methyl)amino]-3-O-methyl-α-D-lyxo-hexopyranosyl}-α-L-arabino-hexopyranoside

  • Molecular FormulaC51H79NO13
  • Average mass914.172 Da
  • Monoisotopic mass913.555115 Da
  • ChemSpider ID8323228

  • 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-[ethyl(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: 941.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 155.5±6.0 kJ/mol
Flash Point: 523.3±34.3 °C
Index of Refraction: 1.564
Molar Refractivity: 246.9±0.4 cm3
#H bond acceptors: 14
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 7.86
ACD/LogD (pH 5.5): 4.60
ACD/BCF (pH 5.5): 482.02
ACD/KOC (pH 5.5): 593.53
ACD/LogD (pH 7.4): 6.31
ACD/BCF (pH 7.4): 24600.59
ACD/KOC (pH 7.4): 30291.41
Polar Surface Area: 153 Å2
Polarizability: 97.9±0.5 10-24cm3
Surface Tension: 50.1±5.0 dyne/cm
Molar Volume: 758.6±5.0 cm3

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