EcoDrugPlus


Synonyms	6r-mthf Arfolitixorin ISO-901 Modufolin [6R]-5,10-methylenetetrahydrofolate ([6R]-5,10- MTHF)
Status
Molecule Category	Free-form
UNII	Z8R4A37V9Q
EPA CompTox	DTXSID60185584

Synonyms

6r-mthf

Arfolitixorin

ISO-901

Modufolin

[6R]-5,10-methylenetetrahydrofolate ([6R]-5,10- MTHF)

Status

Molecule Category

Free-form

UNII

Z8R4A37V9Q

EPA CompTox

DTXSID60185584


InChI Key	QYNUQALWYRSVHF-OLZOCXBDSA-N
Smiles	Nc1nc2c(c(=O)[nH]1)N1CN(c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)C[C@H]1CN2
InChI	InChI=1S/C20H23N7O6/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29/h1-4,12-13H,5-9H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31)/t12-,13+/m1/s1

InChI Key

QYNUQALWYRSVHF-OLZOCXBDSA-N

Smiles

Nc1nc2c(c(=O)[nH]1)N1CN(c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)C[C@H]1CN2

InChI

InChI=1S/C20H23N7O6/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29/h1-4,12-13H,5-9H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31)/t12-,13+/m1/s1

Property Name	Value
Molecular Formula	C20H23N7O6
Molecular Weight	457.45
AlogP	-0.52
Hydrogen Bond Acceptor	9.0
Hydrogen Bond Donor	6.0
Number of Rotational Bond	7.0
Polar Surface Area	193.98
Molecular species	ACID
Aromatic Rings	2.0
Heavy Atoms	33.0

Property Name

Value

Molecular Formula

C20H23N7O6

Molecular Weight

457.45

AlogP

-0.52

Hydrogen Bond Acceptor

9.0

Hydrogen Bond Donor

6.0

Number of Rotational Bond

7.0

Polar Surface Area

193.98

Molecular species

ACID

Aromatic Rings

2.0

Heavy Atoms

33.0

Resources	Reference
ChEBI	1989
ChEMBL	CHEMBL1234270
DrugBank	DB12676
FDA SRS	Z8R4A37V9Q
PDB	MEF
SureChEMBL	SCHEMBL186747
ZINC	ZINC000004228243

Resources

Reference

ChEBI

ChEMBL

DrugBank

FDA SRS

PDB

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...

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Last update: Monday, 3 November 2025

ARFOLITIXORIN

Structure

Physicochemical Descriptors

Cross References