EcoDrugPlus


Synonyms	2-deoxy-d-glucose 2-deoxy-d-mannose BA 2758 BA-2758 D-arabino-2-desoxyhexose NSC-15193
Status
Molecule Category	UNKNOWN
EPA CompTox	DTXSID50274259

Synonyms

2-deoxy-d-glucose

2-deoxy-d-mannose

BA 2758

BA-2758

D-arabino-2-desoxyhexose

NSC-15193

Status

Molecule Category

UNKNOWN

EPA CompTox

DTXSID50274259


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


InChI Key	PMMURAAUARKVCB-UHFFFAOYSA-N
Smiles	OCC1OC(O)CC(O)C1O
InChI	InChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2

InChI Key

PMMURAAUARKVCB-UHFFFAOYSA-N

Smiles

OCC1OC(O)CC(O)C1O

InChI

InChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2

Property Name	Value
Molecular Formula	C6H12O5
Molecular Weight	164.16
AlogP	-2.19
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	1.0
Polar Surface Area	90.15
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C6H12O5

Molecular Weight

164.16

AlogP

-2.19

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

1.0

Polar Surface Area

90.15

Molecular species

NEUTRAL

Aromatic Rings

0.0

Heavy Atoms

11.0

Resources	Reference
ChEMBL	CHEMBL1880349
SureChEMBL	SCHEMBL148910

Resources

Reference

ChEMBL

CHEMBL1880349

SureChEMBL

SCHEMBL148910


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).

2-DEOXY-D-GLUCOSE

Structure

Physicochemical Descriptors

Related Entries

Cross References