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[ CAS No. 6556-12-3 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 6556-12-3
Chemical Structure| 6556-12-3
Structure of 6556-12-3 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 6556-12-3 ]

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Product Details of [ 6556-12-3 ]

CAS No. :6556-12-3 MDL No. :MFCD00166981
Formula : C6H10O7 Boiling Point : -
Linear Structure Formula :- InChI Key :IAJILQKETJEXLJ-QTBDOELSSA-N
M.W : 194.14 Pubchem ID :65041
Synonyms :
D-(+)-Glucuronic Acid

Calculated chemistry of [ 6556-12-3 ]

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.67
Num. rotatable bonds : 5
Num. H-bond acceptors : 7.0
Num. H-bond donors : 5.0
Molar Refractivity : 37.57
TPSA : 135.29 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) : -9.31 cm/s

Lipophilicity

Log Po/w (iLOGP) : -0.83
Log Po/w (XLOGP3) : -2.57
Log Po/w (WLOGP) : -3.29
Log Po/w (MLOGP) : -3.01
Log Po/w (SILICOS-IT) : -1.95
Consensus Log Po/w : -2.33

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 1.0
Muegge : 2.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : 0.91
Solubility : 1560.0 mg/ml ; 8.04 mol/l
Class : Highly soluble
Log S (Ali) : 0.27
Solubility : 365.0 mg/ml ; 1.88 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : 2.9
Solubility : 154000.0 mg/ml ; 793.0 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.26

Safety of [ 6556-12-3 ]

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 [ 6556-12-3 ]

* 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 [ 6556-12-3 ]
  • Downstream synthetic route of [ 6556-12-3 ]

[ 6556-12-3 ] Synthesis Path-Upstream   1~12

  • 1
  • [ 6556-12-3 ]
  • [ 100-39-0 ]
  • [ 32449-92-6 ]
Reference: [1] Tetrahedron, 2007, vol. 63, # 32, p. 7596 - 7605
  • 2
  • [ 6556-12-3 ]
  • [ 106-95-6 ]
  • [ 32449-92-6 ]
Reference: [1] Tetrahedron, 2007, vol. 63, # 32, p. 7596 - 7605
  • 3
  • [ 6556-12-3 ]
  • [ 32449-92-6 ]
Reference: [1] Recueil des Travaux Chimiques des Pays-Bas, 1952, vol. 71, p. 999,1003
  • 4
  • [ 102141-20-8 ]
  • [ 6556-12-3 ]
  • [ 528-43-8 ]
Reference: [1] Chemical and Pharmaceutical Bulletin, 1986, vol. 34, # 1, p. 158 - 167
  • 5
  • [ 83896-44-0 ]
  • [ 6556-12-3 ]
  • [ 471-53-4 ]
  • [ 6894-46-8 ]
Reference: [1] Pharmaceutical Chemistry Journal, 1996, vol. 30, # 4, p. 263 - 266
  • 6
  • [ 83896-44-0 ]
  • [ 6556-12-3 ]
  • [ 471-53-4 ]
Reference: [1] Pharmaceutical Chemistry Journal, 1996, vol. 30, # 4, p. 263 - 266
  • 7
  • [ 1405-86-3 ]
  • [ 6556-12-3 ]
  • [ 471-53-4 ]
Reference: [1] Pharmazie, 1989, vol. 44, # 7, p. 508
  • 8
  • [ 1262616-36-3 ]
  • [ 50-99-7 ]
  • [ 6556-12-3 ]
  • [ 83-48-7 ]
Reference: [1] Chemistry of Natural Compounds, 2010, vol. 46, # 4, p. 549 - 553
  • 9
  • [ 97892-86-9 ]
  • [ 87-72-9 ]
  • [ 10257-28-0 ]
  • [ 6556-12-3 ]
  • [ 631-01-6 ]
Reference: [1] Phytochemistry (Elsevier), 1987, vol. 26, # 1, p. 229 - 236
  • 10
  • [ 1248822-15-2 ]
  • [ 58-86-6 ]
  • [ 6556-12-3 ]
  • [ 631-01-6 ]
Reference: [1] Chemical and Pharmaceutical Bulletin, 2010, vol. 58, # 3, p. 412 - 414
  • 11
  • [ 1248822-17-4 ]
  • [ 58-86-6 ]
  • [ 3615-37-0 ]
  • [ 3615-41-6 ]
  • [ 59-23-4 ]
  • [ 6556-12-3 ]
  • [ 631-01-6 ]
Reference: [1] Chemical and Pharmaceutical Bulletin, 2010, vol. 58, # 3, p. 412 - 414
  • 12
  • [ 107091-09-8 ]
  • [ 2280-44-6 ]
  • [ 6556-12-3 ]
  • [ 73-34-7 ]
  • [ 30738-01-3 ]
  • [ 73-34-7 ]
  • [ 631-01-6 ]
Reference: [1] Phytochemistry (Elsevier), 1987, vol. 26, # 1, p. 229 - 236
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