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[ CAS No. 75607-67-9 ] {[proInfo.proName]}

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Chemical Structure| 75607-67-9
Chemical Structure| 75607-67-9
Structure of 75607-67-9 * Storage: {[proInfo.prStorage]}

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Product Details of [ 75607-67-9 ]

CAS No. :75607-67-9 MDL No. :MFCD00866418
Formula : C10H13FN5O7P Boiling Point : -
Linear Structure Formula :- InChI Key :GIUYCYHIANZCFB-FJFJXFQQSA-N
M.W : 365.21 Pubchem ID :30751
Synonyms :
F-Ara-A Phosphate; NSC 312887 Phosphate
Chemical Name :((2R,3S,4S,5R)-5-(6-Amino-2-fluoro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate

Calculated chemistry of [ 75607-67-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 24
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.5
Num. rotatable bonds : 4
Num. H-bond acceptors : 11.0
Num. H-bond donors : 5.0
Molar Refractivity : 73.54
TPSA : 195.88 ?2

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) : -10.27 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.12
Log Po/w (XLOGP3) : -2.45
Log Po/w (WLOGP) : -1.62
Log Po/w (MLOGP) : -2.65
Log Po/w (SILICOS-IT) : -3.08
Consensus Log Po/w : -1.94

Druglikeness

Lipinski : 1.0
Ghose : None
Veber : 1.0
Egan : 1.0
Muegge : 3.0
Bioavailability Score : 0.11

Water Solubility

Log S (ESOL) : -0.57
Solubility : 97.3 mg/ml ; 0.266 mol/l
Class : Very soluble
Log S (Ali) : -1.12
Solubility : 27.6 mg/ml ; 0.0755 mol/l
Class : Very soluble
Log S (SILICOS-IT) : 1.0
Solubility : 3640.0 mg/ml ; 9.95 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 4.43

Safety of [ 75607-67-9 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P501-P263-P260-P270-P202-P201-P264-P280-P308+P313-P301+P312+P330-P405 UN#:N/A
Hazard Statements:H302-H361-H362-H373 Packing Group:N/A
GHS Pictogram:
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