Pentitol

HCID 827CAS 2152-56-9

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Basic information

Standard SMILES: OCC(O)C(O)C(O)CO
InChIKey: HEBKCHPVOIAQTA-UHFFFAOYSA-N
Molecular formula: C5H12O5
Average molar mass: 152.15 g/mol
Monoisotopic mass: 152.06847348

Overview

See also: Xylitol (annotation moved to); D-Arabitol (annotation moved to); Ribitol (annotation moved to).

Names & identifiers

Preferred name: Pentitol
IUPAC: pentane-1,2,3,4,5-pentol

Names & synonyms

Pentitol6917-36-8GlyTouCan:G72699UVRefChem:1048587CHEBI:25899DTXSID30859149G72699UVpentane-1,2,3,4,5-pentolDL-Xylitolarabitol(d)D(+)-ArabitolArabitol, D-

Show more names

16277-71-7NSC16868NSC25288Adonitol;AdoniteC5H12O5Wood sugar alcohola pentitolArabinitol-

Database identifiers

CAS: 2152-56-9、488-81-3、488-82-4、6917-36-8、7643-75-6、87-99-0
PubChem CID: 827
DTXSID: DTXSID7042514
Nikkaji: J1.453.993J

Properties

Computed structural properties

XLogP: -2.5
Topological polar surface area: 101 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 10
Formal charge: 0
Complexity: 76.1

Related reactions

19 records

New reaction record

HRID 1925As reactantuspto-grants-1998_03

HRID 89276As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 161509As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 183700As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 210584As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 828408As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 839641As productuspto-grants-1978_06

HRID 939498As reactantValidation data from https://doi.org/10.1039/C8SC04228D

Linked notes

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