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[ CAS No. 32449-92-6 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 32449-92-6
Chemical Structure| 32449-92-6
Structure of 32449-92-6 * Storage: {[proInfo.prStorage]}
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Product Details of [ 32449-92-6 ]

CAS No. :32449-92-6 MDL No. :MFCD00135622
Formula : C6H8O6 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 176.12 Pubchem ID :-
Synonyms :
D-Glucuronolactone;Dicurone;Glucuronic acid lactone;Glucurone;Glucurolactone;Glucoxy;D-Glucurono-γ-lactone;D-Glucuronic acid lactone

Calculated chemistry of [ 32449-92-6 ]

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.67
Num. rotatable bonds : 2
Num. H-bond acceptors : 6.0
Num. H-bond donors : 3.0
Molar Refractivity : 33.81
TPSA : 104.06 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -8.69 cm/s

Lipophilicity

Log Po/w (iLOGP) : -0.36
Log Po/w (XLOGP3) : -1.85
Log Po/w (WLOGP) : -2.81
Log Po/w (MLOGP) : -2.6
Log Po/w (SILICOS-IT) : -1.22
Consensus Log Po/w : -1.77

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : 0.37
Solubility : 409.0 mg/ml ; 2.32 mol/l
Class : Highly soluble
Log S (Ali) : 0.18
Solubility : 269.0 mg/ml ; 1.53 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : 1.8
Solubility : 11200.0 mg/ml ; 63.5 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.32

Safety of [ 32449-92-6 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 32449-92-6 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Upstream synthesis route of [ 32449-92-6 ]
  • Downstream synthetic route of [ 32449-92-6 ]

[ 32449-92-6 ] Synthesis Path-Upstream   1~12

  • 1
  • [ 32449-92-6 ]
  • [ 15384-34-6 ]
Reference: [1] Canadian Journal of Chemistry, 1956, vol. 34, p. 693,699
  • 2
  • [ 2671-19-4 ]
  • [ 32449-92-6 ]
Reference: [1] Chemische Berichte, 1933, vol. 66, p. 1326,1328
[2] Journal of the American Chemical Society, 1952, vol. 74, p. 4377
  • 3
  • [ 6556-12-3 ]
  • [ 100-39-0 ]
  • [ 32449-92-6 ]
Reference: [1] Tetrahedron, 2007, vol. 63, # 32, p. 7596 - 7605
  • 4
  • [ 6556-12-3 ]
  • [ 106-95-6 ]
  • [ 32449-92-6 ]
Reference: [1] Tetrahedron, 2007, vol. 63, # 32, p. 7596 - 7605
  • 5
  • [ 87-89-8 ]
  • [ 32449-92-6 ]
Reference: [1] Journal of the American Chemical Society, 1958, vol. 80, p. 2022
  • 6
  • [ 97-30-3 ]
  • [ 32449-92-6 ]
Reference: [1] Chemistry and Industry (London, United Kingdom), 1951, p. 970
[2] Helvetica Chimica Acta, 1949, vol. 32, p. 2165,2168
[3] Patent: US2683150, 1950, ,
  • 7
  • [ 114127-73-0 ]
  • [ 32449-92-6 ]
Reference: [1] Biochemical Journal, 1940, vol. 34, p. 272,274
[2] Chemische Berichte, 1926, vol. 59, p. 1469,1470
  • 8
  • [ 87-73-0 ]
  • [ 32449-92-6 ]
Reference: [1] Sperimentale Sez. Chim. biol., 1951, vol. 2, p. 108,115
  • 9
  • [ 709-50-2 ]
  • [ 32449-92-6 ]
Reference: [1] Chemistry and Industry (London, United Kingdom), 1951, p. 970
  • 10
  • [ 6920-57-6 ]
  • [ 32449-92-6 ]
Reference: [1] Journal of the Chemical Society, 1958, p. 4128,4129
  • 11
  • [ 13100-46-4 ]
  • [ 32449-92-6 ]
Reference: [1] Journal of the Chemical Society, 1939, p. 1529
  • 12
  • [ 6556-12-3 ]
  • [ 32449-92-6 ]
Reference: [1] Recueil des Travaux Chimiques des Pays-Bas, 1952, vol. 71, p. 999,1003
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