ChemSpider 2D Image | (5R)-5-[(30E,32E)-2,3,4,5,6,8,10,12,14,16,18,20,22,24,25,32-Hexadecahydroxy-13,15,19,21,23,27,29,31-octamethyl-32-(5-methyl-2,4-dioxo-3-pyrrolidinylidene)-30-dotriaconten-1-yl]-1-C-(2-hydroxyundecyl)- alpha-D-lyxopyranose | C61H113NO24

(5R)-5-[(30E,32E)-2,3,4,5,6,8,10,12,14,16,18,20,22,24,25,32-Hexadecahydroxy-13,15,19,21,23,27,29,31-octamethyl-32-(5-methyl-2,4-dioxo-3-pyrrolidinylidene)-30-dotriaconten-1-yl]-1-C-(2-hydroxyundecyl)- α-D-lyxopyranose

  • Molecular FormulaC61H113NO24
  • Average mass1244.542 Da
  • Monoisotopic mass1243.765259 Da
  • ChemSpider ID78445301

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 29 defined stereocentres

More details:

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

(5R)-5-[(30E,32E)-2,3,4,5,6,8,10,12,14,16,18,20,22,24,25,32-Hexadecahydroxy-13,15,19,21,23,27,29,31-octamethyl-32-(5-methyl-2,4-dioxo-3-pyrrolidinyliden)-30-dotriaconten-1-yl]-1-C-(2-hydroxyundecyl)-a lpha-D-lyxopyranose [German] [ACD/IUPAC Name]
(5R)-5-[(30E,32E)-2,3,4,5,6,8,10,12,14,16,18,20,22,24,25,32-Hexadecahydroxy-13,15,19,21,23,27,29,31-octamethyl-32-(5-methyl-2,4-dioxo-3-pyrrolidinylidene)-30-dotriaconten-1-yl]-1-C-(2-hydroxyundecyl)- ;α-D-lyxopyranose [ACD/IUPAC Name]
(5R)-5-[(30E,32E)-2,3,4,5,6,8,10,12,14,16,18,20,22,24,25,32-Hexadécahydroxy-13,15,19,21,23,27,29,31-octaméthyl-32-(5-méthyl-2,4-dioxo-3-pyrrolidinylidène)-30-dotriacontén-1-yl]-1-C-(2-hydroxyundécyl)- ;α-D-lyxopyranose [French] [ACD/IUPAC Name]
Octacositol, 1,7,9,11,13,15,17,19,21,23,26,27,28-tridecadeoxy-27-[(3E,5E)-5-hydroxy-2,4-dimethyl-5-(5-methyl-2,4-dioxo-3-pyrrolidinylidene)-3-penten-1-yl]-13,15,19,21,23-pentamethyl-1-[(2R,3S,4S,5S,6S )-tetrahydro-3,4,5,6-tetrahydroxy-6-(2-hydroxyundecyl)-2H-pyran-2-yl]- [ACD/Index Name]
Aflastatin B

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1366.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 232.6±6.0 kJ/mol
Flash Point: 780.2±34.3 °C
Index of Refraction: 1.577
Molar Refractivity: 316.7±0.3 cm3
#H bond acceptors: 25
#H bond donors: 22
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 3
ACD/LogP: -6.65
ACD/LogD (pH 5.5): -4.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 480 Å2
Polarizability: 125.5±0.5 10-24cm3
Surface Tension: 66.9±3.0 dyne/cm
Molar Volume: 956.1±3.0 cm3

Click to predict properties on the Chemicalize site


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