XYLITOL


Synonyms	C-xylidex cr 16055 E-967 E967 Eutrit Fluorette INS NO.967 INS-967 Kannit Klinit Kylit NSC-25283 Xylitab 300 Xylite Xylite (sugar) Xylitol Xylitol cm 90 Xylitol, d- Xyliton Xylo-pentane-1,2,3,4,5-pentol Xylo-pentitol
Status
Molecule Category	UNKNOWN
UNII	VCQ006KQ1E
EPA CompTox	DTXSID7042514


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	HEBKCHPVOIAQTA-SCDXWVJYSA-N
Smiles	OC[C@@H](O)[C@H](O)[C@@H](O)CO
InChI	InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5+

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C5H12O5
Molecular Weight	152.15
AlogP	-2.95
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	5.0
Number of Rotational Bond	4.0
Polar Surface Area	101.15
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	10.0

Related Entries

Cross References

Resources	Reference
ChEBI	17151
ChEMBL	CHEMBL96783
DrugBank	DB11195
DrugCentral	4604
FDA SRS	VCQ006KQ1E
KEGG	C00379
PDB	XYL
SureChEMBL	SCHEMBL4250
ZINC	ZINC000100018612

CONTENTS


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).