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[ CAS No. 13035-61-5 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 13035-61-5
Chemical Structure| 13035-61-5
Structure of 13035-61-5 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 13035-61-5 ]

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Product Citations

Product Details of [ 13035-61-5 ]

CAS No. :13035-61-5 MDL No. :MFCD00005358
Formula : C13H18O9 Boiling Point : -
Linear Structure Formula :C5H10O5(C2H2O)4 InChI Key :IHNHAHWGVLXCCI-FDYHWXHSSA-N
M.W : 318.28 Pubchem ID :83064
Synonyms :
Beta-D-Ribofuranose 1,2,3,5-tetraacetate;NSC 18738;1’,2’,3’,5’-O-tetraacetyl-β-D-Ribofuranose;1,2,3,5-tetra-O-acetyl-β-D-Ribofuranose;β-D-Ribofuranose 1,2,3,5-tetraacetate
Chemical Name :(2S,3R,4R,5R)-5-(Acetoxymethyl)tetrahydrofuran-2,3,4-triyl triacetate

Calculated chemistry of [ 13035-61-5 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 22
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.69
Num. rotatable bonds : 9
Num. H-bond acceptors : 9.0
Num. H-bond donors : 0.0
Molar Refractivity : 68.72
TPSA : 114.43 ?2

Pharmacokinetics

GI absorption : High
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) : -7.77 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.86
Log Po/w (XLOGP3) : 0.67
Log Po/w (WLOGP) : -0.3
Log Po/w (MLOGP) : -0.57
Log Po/w (SILICOS-IT) : 0.09
Consensus Log Po/w : 0.55

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.64
Solubility : 7.27 mg/ml ; 0.0228 mol/l
Class : Very soluble
Log S (Ali) : -2.65
Solubility : 0.713 mg/ml ; 0.00224 mol/l
Class : Soluble
Log S (SILICOS-IT) : -0.5
Solubility : 101.0 mg/ml ; 0.317 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 4.29

Safety of [ 13035-61-5 ]

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 [ 13035-61-5 ]

* 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.

  • Downstream synthetic route of [ 13035-61-5 ]

[ 13035-61-5 ] Synthesis Path-Downstream   1~10

  • 1
  • [ 3056-33-5 ]
  • [ 13035-61-5 ]
  • [ 30747-23-0 ]
  • [ 30747-22-9 ]
  • 2
  • [ 3056-33-5 ]
  • [ 13035-61-5 ]
  • [ 30747-22-9 ]
  • 3
  • [ 86357-13-3 ]
  • 9-(2',3',5'-tri-O-acetyl-β-D-ribofuranosyl)-N2-acetylguanine [ No CAS ]
  • [ 86357-17-7 ]
  • [ 86357-14-4 ]
  • [ 13035-61-5 ]
  • 4
  • [ 71083-06-2 ]
  • [ 13035-61-5 ]
  • [ 934000-17-6 ]
  • 5
  • [ 15121-84-3 ]
  • [ 13035-61-5 ]
  • [ 1284240-91-0 ]
  • 6
  • [ 272-97-9 ]
  • [ 13035-61-5 ]
  • [ 1312944-85-6 ]
  • [ 1312944-82-3 ]
  • 7
  • [ 272-97-9 ]
  • [ 13035-61-5 ]
  • [ 7465-42-1 ]
  • 8
  • [ 13035-61-5 ]
  • [ 3690-10-6 ]
  • 9
  • [ 108-24-7 ]
  • [ 118-00-3 ]
  • [ 3056-33-5 ]
  • [ 13035-61-5 ]
  • 10
  • [ 122794-99-4 ]
  • [ 13035-61-5 ]
  • ethyl 6-bromo-1-(2',3',5'-tri-O-acetyl-β-D-ribofuranosyl)-4-quinolone-3-carboxylate [ No CAS ]
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