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API & reference standards

Glicerina

Glicerina is listed in the API and reference-standard collection. Its represented structure has formula C3H8O3 and a calculated molecular weight of 92.09 g/mol.

2D chemical structure

H O O H O H

Chemical identity

Catalog name
Glicerina
Common name
Glicerina
Chemical name
propane-1,2,3-triol
CAS
Not available
SMILES
OCC(O)CO
InChI
InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
InChIKey
PEDCQBHIVMGVHV-UHFFFAOYSA-N

Record ID: A26105162c774

Computed properties

C3H8O3 Molecular formula
92.094 g/molMolecular weight
92.0473 DaMonoisotopic exact mass
60.69 ŲTopological polar surface area
-1.6681 Calculated LogP (Wildman–Crippen)
20.1784 cm³/molMolar refractivity (Wildman–Crippen)
3 countHydrogen-bond acceptors
3 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 1 2 3 Count H-bond acceptors H-bond donors Rotatable bonds Rings Aromatic rings Stereo centers

Element composition

C H O 0 2 4 6 8 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 weight92.0940.58
Calculated LogP (Wildman–Crippen)-1.66815.00
Topological polar surface area60.6941.44
Hydrogen-bond acceptors333.13
Hydrogen-bond donors381.39
Rotatable bonds (strict)224.16

Complete molecular descriptors

PropertyCalculated valueUnit / type
Molecular formulaC3H8O3dimensionless
Molecular weight92.094g/mol
Monoisotopic exact mass92.0473Da
Topological polar surface area60.69Ų
Calculated LogP (Wildman–Crippen)-1.6681dimensionless
Molar refractivity (Wildman–Crippen)20.1784cm³/mol
Hydrogen-bond acceptors3count
Hydrogen-bond donors3count
Rotatable bonds (strict)2count
Heavy atoms6count
Heteroatoms3count
Rings0count
Aromatic rings0count
Aliphatic rings0count
Saturated rings0count
Aromatic heterocycles0count
Aliphatic heterocycles0count
Saturated heterocycles0count
Aromatic carbocycles0count
Aliphatic carbocycles0count
Fraction of sp³ carbon atoms1fraction
Formal charge0e
Disconnected components1count
Isotopically specified atoms0count
Potential atom stereocenters0count
Unspecified atom stereocenters0count
Spiro atoms0count
Bridgehead atoms0count
Labute approximate surface area35.8518Ų
Valence electrons38count
Radical electrons0count
Bertz complexity25.2193index
Balaban J2.7542index

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 Glicerina

PDE, HBEL and impurity assessment for Glicerina

For a substance-specific assessment, request a PDE report for Glicerina or explore HBEL derivation for Glicerina. These services address exposure limits using toxicological evidence and the intended use of the substance.

For pharmaceutical development, explore prediction of degradation products of Glicerina and qualification of impurities related to Glicerina.

Related Altox services and technical resources

Other catalogue designations with the same represented structure

These are separate catalogue entries; shared structure does not establish interchangeable pharmacopoeial designations.

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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