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API & reference standards

Silicified Microcrystalline Cellulose

Silicified Microcrystalline Cellulose is listed in the API and reference-standard collection. Its represented structure has formula C12H22O11 and a calculated molecular weight of 342.30 g/mol.

2D chemical structure

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

Chemical identity

Catalog name
Silicified Microcrystalline Cellulose
Common name
Silicified Microcrystalline Cellulose
Chemical name
(6S)-2-(hydroxymethyl)-6-[(3S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
CAS
Not available
SMILES
OCC1O[C@@H](O[C@@H]2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O
InChI
InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3?,4?,5?,6?,7?,8?,9?,10-,11?,12+/m1/s1
InChIKey
GUBGYTABKSRVRQ-WFVLMXAXSA-N

Record ID: A983572a65626

Computed properties

C12H22O11 Molecular formula
342.297 g/molMolecular weight
342.1162 DaMonoisotopic exact mass
189.53 ŲTopological polar surface area
-5.3972 Calculated LogP (Wildman–Crippen)
68.6194 cm³/molMolar refractivity (Wildman–Crippen)
11 countHydrogen-bond acceptors
8 countHydrogen-bond donors

Descriptors are calculated from the displayed SMILES. Calculated LogP is not a measured partition coefficient or a pH-specific LogD. 8 potential atom stereocenters have unspecified configuration.

Molecular descriptor profile

Descriptor radar

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

Structural feature counts

0 4 8 12 Count H-bond acceptors H-bond donors Rotatable bonds Rings Aromatic rings Stereo centers

Element composition

C H O 0 5 10 15 20 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 weight342.29756.05
Calculated LogP (Wildman–Crippen)-5.39721.10
Topological polar surface area189.5394.32
Hydrogen-bond acceptors1194.67
Hydrogen-bond donors898.12
Rotatable bonds (strict)449.39

Complete molecular descriptors

PropertyCalculated valueUnit / type
Molecular formulaC12H22O11dimensionless
Molecular weight342.297g/mol
Monoisotopic exact mass342.1162Da
Topological polar surface area189.53Ų
Calculated LogP (Wildman–Crippen)-5.3972dimensionless
Molar refractivity (Wildman–Crippen)68.6194cm³/mol
Hydrogen-bond acceptors11count
Hydrogen-bond donors8count
Rotatable bonds (strict)4count
Heavy atoms23count
Heteroatoms11count
Rings2count
Aromatic rings0count
Aliphatic rings2count
Saturated rings2count
Aromatic heterocycles0count
Aliphatic heterocycles2count
Saturated heterocycles2count
Aromatic carbocycles0count
Aliphatic carbocycles0count
Fraction of sp³ carbon atoms1fraction
Formal charge0e
Disconnected components1count
Isotopically specified atoms0count
Potential atom stereocenters10count
Unspecified atom stereocenters8count
Spiro atoms0count
Bridgehead atoms0count
Labute approximate surface area130.4365Ų
Valence electrons136count
Radical electrons0count
Bertz complexity378.0184index
Balaban J2.1149index

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 Silicified Microcrystalline Cellulose

PDE, HBEL and impurity assessment for Silicified Microcrystalline Cellulose

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

For pharmaceutical development, explore prediction of degradation products of Silicified Microcrystalline Cellulose and qualification of impurities related to Silicified Microcrystalline Cellulose.

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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