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Pharmaceutical impurity

Sofosbuvir Impurity 25

Sofosbuvir Impurity 25 is listed in the pharmaceutical impurity collection under CAS 1015073-43-4. Its represented structure has formula C10H14FN2O8P and a calculated molecular weight of 340.20 g/mol.

2D chemical structure

F O H O P O O H O H O N O H N O ( R ) ( R ) ( R ) ( R )

Chemical identity

Catalog name
Sofosbuvir Impurity 25
Common name
Sofosbuvir Impurity 25
Chemical name
[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methyl dihydrogen phosphate
CAS
1015073-43-4
SMILES
C[C@@]1(F)[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1n1ccc(=O)[nH]c1=O
InChI
InChI=1S/C10H14FN2O8P/c1-10(11)7(15)5(4-20-22(17,18)19)21-8(10)13-3-2-6(14)12-9(13)16/h2-3,5,7-8,15H,4H2,1H3,(H,12,14,16)(H2,17,18,19)/t5-,7-,8-,10-/m1/s1
InChIKey
JAJZLQMRDFLNSW-VPCXQMTMSA-N
Associated API
Sofosbuvir

Record ID: Abaacf72f8da9

Computed properties

C10H14FN2O8P Molecular formula
340.2 g/molMolecular weight
340.0472 DaMonoisotopic exact mass
151.08 ŲTopological polar surface area
-1.3676 Calculated LogP (Wildman–Crippen)
68.7486 cm³/molMolar refractivity (Wildman–Crippen)
6 countHydrogen-bond acceptors
4 countHydrogen-bond donors

Descriptors are calculated from the displayed SMILES. Calculated LogP is not a measured partition coefficient or a pH-specific LogD.

Molecular descriptor profile

Descriptor radar

Mol. weight LogP TPSA HBA HBD Rotatable 25 50 75 100

Structural feature counts

0 2 4 6 Count H-bond acceptors H-bond donors Rotatable bonds Rings Aromatic rings Stereo centers

Element composition

C F H N O P 0 3 6 9 12 Number of atoms

Radar scale: 0–100 percentile within 25,771 distinct represented structures in this release, using the midpoint rank for ties. Larger values indicate a higher descriptor rank, not greater safety or toxicity. Element counts include hydrogen and combine isotopes under each element.

Radar values and percentile reference
DescriptorValuePercentile
Molecular weight340.255.52
Calculated LogP (Wildman–Crippen)-1.36765.95
Topological polar surface area151.0889.43
Hydrogen-bond acceptors675.83
Hydrogen-bond donors489.70
Rotatable bonds (strict)449.39

Complete molecular descriptors

PropertyCalculated valueUnit / type
Molecular formulaC10H14FN2O8Pdimensionless
Molecular weight340.2g/mol
Monoisotopic exact mass340.0472Da
Topological polar surface area151.08Ų
Calculated LogP (Wildman–Crippen)-1.3676dimensionless
Molar refractivity (Wildman–Crippen)68.7486cm³/mol
Hydrogen-bond acceptors6count
Hydrogen-bond donors4count
Rotatable bonds (strict)4count
Heavy atoms22count
Heteroatoms12count
Rings2count
Aromatic rings1count
Aliphatic rings1count
Saturated rings1count
Aromatic heterocycles1count
Aliphatic heterocycles1count
Saturated heterocycles1count
Aromatic carbocycles0count
Aliphatic carbocycles0count
Fraction of sp³ carbon atoms0.6fraction
Formal charge0e
Disconnected components1count
Isotopically specified atoms0count
Potential atom stereocenters4count
Unspecified atom stereocenters0count
Spiro atoms0count
Bridgehead atoms0count
Labute approximate surface area121.9125Ų
Valence electrons124count
Radical electrons0count
Bertz complexity709.3683index
Balaban J2.2775index

Ring categories overlap and should not be summed. No toxicity result, PDE, HBEL or acceptable intake is inferred from these descriptors.

Toxicological services and resources for Sofosbuvir Impurity 25

Qualification and safety assessment of Sofosbuvir Impurity 25

Explore toxicological qualification of Sofosbuvir Impurity 25 and ICH M7 mutagenic impurity assessment of Sofosbuvir Impurity 25 for evaluation of this impurity in its pharmaceutical context.

Where data gaps need to be addressed, resources include read-across assessment for Sofosbuvir Impurity 25 and acceptable intake and limit justification for Sofosbuvir Impurity 25. The relevant approach depends on the available evidence, exposure and duration of use.

Related Altox services and technical resources

Identity sources and calculation method

Identifiers originate from the source catalogues and available public identity records. InChI and InChIKey on this page are generated from the displayed SMILES. RDKit validation checks the molecular representation; it does not independently verify every catalogue assignment.

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