ChemSpider 2D Image | (2R)-3-{[{[(2R,3R,4R,5S,6S)-3-{[(2S,3R,4R,5S,6R)-3-Acetamido-5-{[(2S,3R,4R,5S,6R)-3-acetamido-5-{[(2R,3R,4S,5R,6S)-6-carbamoyl-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-6-methyltetrahydr
o-2H-pyran-2-yl]oxy}-4-hydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}-6-carbamoyl-4-(carbamoyloxy)-5-hydroxy-5-methyl
tetrahydro-2H-pyran-2-yl]oxy}(hydroxy)phosph | C49H80N5O32P

(2R)-3-{[{[(2R,3R,4R,5S,6S)-3-{[(2S,3R,4R,5S,6R)-3-Acetamido-5-{[(2S,3R,4R,5S,6R)-3-acetamido-5-{[(2R,3R,4S,5R,6S)-6-carbamoyl-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-6-methyltetrahydr o-2H-pyran-2-yl]oxy}-4-hydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}-6-carbamoyl-4-(carbamoyloxy)-5-hydroxy-5-methyl tetrahydro-2H-pyran-2-yl]oxy}(hydroxy)phosph

  • Molecular FormulaC49H80N5O32P
  • Average mass1282.148 Da
  • Monoisotopic mass1281.452393 Da
  • ChemSpider ID25058058
  • 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,3R,4R,5S,6S)-3-{[(2S,3R,4R,5S,6R)-3-Acetamido-5-{[(2S,3R,4R,5S,6R)-3-acetamido-5-{[(2R,3R,4S,5R,6S)-6-carbamoyl-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-6-methyltetrahydr o-2H-pyran-2-yl]oxy}-4-hydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}-6-carbamoyl-4-(carbamoyloxy)-5-hydroxy-5-methyl tetrahydro-2H-pyran-2-yl]oxy}(hydroxy)phosph [German] [ACD/IUPAC Name]
(2R)-3-{[{[(2R,3R,4R,5S,6S)-3-{[(2S,3R,4R,5S,6R)-3-Acetamido-5-{[(2S,3R,4R,5S,6R)-3-acetamido-5-{[(2R,3R,4S,5R,6S)-6-carbamoyl-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-6-methyltetrahydr o-2H-pyran-2-yl]oxy}-4-hydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}-6-carbamoyl-4-(carbamoyloxy)-5-hydroxy-5-methyl tetrahydro-2H-pyran-2-yl]oxy}(hydroxy)phosph [ACD/IUPAC Name]
Acide (2R)-3-{[{[(2R,3R,4R,5S,6S)-3-{[(2S,3R,4R,5S,6R)-3-acétamido-5-{[(2S,3R,4R,5S,6R)-3-acétamido-5-{[(2R,3R,4S,5R,6S)-6-carbamoyl-3,4,5-trihydroxytétrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-6-méthyltét rahydro-2H-pyran-2-yl]oxy}-4-hydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]oxy}méthyl)tétrahydro-2H-pyran-2-yl]oxy}-6-carbamoyl-4-(carbamoyloxy)-5-hydroxy-5- méthyltétrahydro-2H-pyran-2-yl]oxy}(hydroxy) [French] [ACD/IUPAC Name]
M4O

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.626
Molar Refractivity: 284.2±0.4 cm3
#H bond acceptors: 37
#H bond donors: 20
#Freely Rotating Bonds: 28
#Rule of 5 Violations: 3
ACD/LogP: -1.92
ACD/LogD (pH 5.5): -8.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 594 Å2
Polarizability: 112.7±0.5 10-24cm3
Surface Tension: 90.4±5.0 dyne/cm
Molar Volume: 802.8±5.0 cm3

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