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API & reference standards

Xylose

Xylose is listed in the API and reference-standard collection under CAS 58-86-6. Its represented structure has formula C5H10O5 and a calculated molecular weight of 150.13 g/mol.

2D chemical structure

O O H O H O H O H ( R ) ( S ) ( R )

Chemical identity

Catalog name
Xylose
Common name
Xylose
Chemical name
(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal
CAS
58-86-6
SMILES
O=C[C@H](O)[C@@H](O)[C@H](O)CO
InChI
InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5+/m0/s1
InChIKey
PYMYPHUHKUWMLA-VPENINKCSA-N

Record ID: A4f2ad4e774db

Computed properties

C5H10O5 Molecular formula
150.13 g/molMolecular weight
150.0528 DaMonoisotopic exact mass
97.99 ŲTopological polar surface area
-2.7397 Calculated LogP (Wildman–Crippen)
31.1702 cm³/molMolar refractivity (Wildman–Crippen)
5 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 Count H-bond acceptors H-bond donors Rotatable bonds Rings Aromatic rings Stereo centers

Element composition

C H O 0 3 6 9 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 weight150.135.79
Calculated LogP (Wildman–Crippen)-2.73972.99
Topological polar surface area97.9970.82
Hydrogen-bond acceptors565.12
Hydrogen-bond donors489.70
Rotatable bonds (strict)449.39

Complete molecular descriptors

PropertyCalculated valueUnit / type
Molecular formulaC5H10O5dimensionless
Molecular weight150.13g/mol
Monoisotopic exact mass150.0528Da
Topological polar surface area97.99Ų
Calculated LogP (Wildman–Crippen)-2.7397dimensionless
Molar refractivity (Wildman–Crippen)31.1702cm³/mol
Hydrogen-bond acceptors5count
Hydrogen-bond donors4count
Rotatable bonds (strict)4count
Heavy atoms10count
Heteroatoms5count
Rings0count
Aromatic rings0count
Aliphatic rings0count
Saturated rings0count
Aromatic heterocycles0count
Aliphatic heterocycles0count
Saturated heterocycles0count
Aromatic carbocycles0count
Aliphatic carbocycles0count
Fraction of sp³ carbon atoms0.8fraction
Formal charge0e
Disconnected components1count
Isotopically specified atoms0count
Potential atom stereocenters3count
Unspecified atom stereocenters0count
Spiro atoms0count
Bridgehead atoms0count
Labute approximate surface area57.5375Ų
Valence electrons60count
Radical electrons0count
Bertz complexity104.2114index
Balaban J3.7959index

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 Xylose

PDE, HBEL and impurity assessment for Xylose

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

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

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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