EcoDrugPlus


Synonyms	1,2:5,6-dianhdrogalactitol 1,2:5,6-dianhydrogalactitol Dianhydrogalactitol Dulcitol diepoxide NSC-132313 NSC-1323313 VAL-083
Status
Molecule Category	Free-form
UNII	4S465RYF7M
EPA CompTox	DTXSID90878831

Synonyms

1,2:5,6-dianhdrogalactitol

1,2:5,6-dianhydrogalactitol

Dianhydrogalactitol

Dulcitol diepoxide

NSC-132313

NSC-1323313

VAL-083

Status

Molecule Category

Free-form

UNII

4S465RYF7M

EPA CompTox

DTXSID90878831


InChI Key	AAFJXZWCNVJTMK-GUCUJZIJSA-N
Smiles	O[C@H]([C@H](O)[C@@H]1CO1)[C@H]1CO1
InChI	InChI=1S/C6H10O4/c7-5(3-1-9-3)6(8)4-2-10-4/h3-8H,1-2H2/t3-,4+,5+,6-

InChI Key

AAFJXZWCNVJTMK-GUCUJZIJSA-N

Smiles

O[C@H]([C@H](O)[C@@H]1CO1)[C@H]1CO1

InChI

InChI=1S/C6H10O4/c7-5(3-1-9-3)6(8)4-2-10-4/h3-8H,1-2H2/t3-,4+,5+,6-

Property Name	Value
Molecular Formula	C6H10O4
Molecular Weight	146.14
AlogP	-1.49
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	65.52
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C6H10O4

Molecular Weight

146.14

AlogP

-1.49

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

3.0

Polar Surface Area

65.52

Molecular species

NEUTRAL

Aromatic Rings

0.0

Heavy Atoms

10.0

Mechanism of Action	Action	Reference
DNA cross-linking agent	CROSS-LINKING AGENT	PubMed Other

Mechanism of Action

Action

Reference

DNA cross-linking agent

CROSS-LINKING AGENT

PubMed Other

Resources	Reference
ChEMBL	CHEMBL3137322
DrugBank	DB12873
FDA SRS	4S465RYF7M
SureChEMBL	SCHEMBL4306431
ZINC	ZINC000004963497

Resources

Reference

ChEMBL

DrugBank

FDA SRS

SureChEMBL

ZINC

EcoDrug+ was developed under the PREMIER 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 EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

DIANHYDROGALACTITOL

Structure

Physicochemical Descriptors

Pharmacology

Cross References