ChemSpider 2D Image | (2R)-3-{[{[(2R,3S,4R,5S,6R)-3-{[(2S,3S,4S,5S,6S)-3-Acetamido-5-{[(2S,3S,4R,5S,6S)-3-acetamido-4-hydroxy-6-methyl-5-({(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)carbamoyl] tetrahydro-2H-pyran-2-yl}oxy)tetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-6-({[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}-6-carbamo yl-4-(carbamoyloxy)-5-hydroxy-5-methyltetrah | C69H108N5O34P

(2R)-3-{[{[(2R,3S,4R,5S,6R)-3-{[(2S,3S,4S,5S,6S)-3-Acetamido-5-{[(2S,3S,4R,5S,6S)-3-acetamido-4-hydroxy-6-methyl-5-({(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)carbamoyl] tetrahydro-2H-pyran-2-yl}oxy)tetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-6-({[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}-6-carbamo yl-4-(carbamoyloxy)-5-hydroxy-5-methyltetrah

  • Molecular FormulaC69H108N5O34P
  • Average mass1582.583 Da
  • Monoisotopic mass1581.661377 Da
  • ChemSpider ID28530041

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 26 of 26 defined stereocentres

More details:

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

(2R)-3-{[{[(2R,3S,4R,5S,6R)-3-{[(2S,3S,4S,5S,6S)-3-Acetamido-5-{[(2S,3S,4R,5S,6S)-3-acetamido-4-hydroxy-6-methyl-5-({(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)carbamoyl] tetrahydro-2H-pyran-2-yl}oxy)tetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-6-({[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}-6-carbamo yl-4-(carbamoyloxy)-5-hydroxy-5-methyltetrah [ACD/IUPAC Name]
(2R)-3-{[{[(2R,3S,4R,5S,6R)-3-{[(2S,3S,4S,5S,6S)-3-Acetamido-5-{[(2S,3S,4R,5S,6S)-3-acetamido-4-hydroxy-6-methyl-5-({(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)carbamoyl] tetrahydro-2H-pyran-2-yl}oxy)tetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-6-({[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}-6-carbamo yl-4-(carbamoyloxy)-5-hydroxy-5-methyltetrah [German] [ACD/IUPAC Name]
Acide (2R)-3-{[{[(2R,3S,4R,5S,6R)-3-{[(2S,3S,4S,5S,6S)-3-acétamido-5-{[(2S,3S,4R,5S,6S)-3-acétamido-4-hydroxy-6-méthyl-5-({(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2-hydroxy-5-oxo-1-cyclopentén-1-yl)carb amoyl]tétrahydro-2H-pyran-2-yl}oxy)tétrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-6-({[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]oxy}méthyl)tétrahydro-2H-pyran-2-yl]oxy}-6-c arbamoyl-4-(carbamoyloxy)-5-hydroxy-5-méthyl [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.615
Molar Refractivity: 375.1±0.4 cm3
#H bond acceptors: 39
#H bond donors: 20
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 3
ACD/LogP: 4.81
ACD/LogD (pH 5.5): -3.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 617 Å2
Polarizability: 148.7±0.5 10-24cm3
Surface Tension: 78.9±5.0 dyne/cm
Molar Volume: 1074.3±5.0 cm3

Click to predict properties on the Chemicalize site


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