dihydrofolic acid

Description

dihydrofolic acid · CAS 4033-27-6 · C19H21N7O6. UNII KXP0KNM559. Collision Cross Section: 192 Ų [M-H]-; Collision Cross Section: 192.4 Ų [M+H]+; Collision Cross Section: 201.2 Ų [M-2H+Na]-.

Identification

CAS Registry Number	4033-27-6
PubChem CID	135398604
Molecular formula	C19H21N7O6
IUPAC name	(2S)-2-[[4-[(2-amino-4-oxo-7,8-dihydro-3H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
UNII (FDA)	KXP0KNM559

Computed Descriptors

Molecular Weight	443.4
XLogP3	-0.9
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	9
Exact Mass	443.15533142
Monoisotopic Mass	443.15533142
Topological Polar Surface Area	208
Heavy Atom Count	32
Formal Charge	0

Physical & Chemical Properties

Collision Cross Section	192 Ų [M-H]-
Collision Cross Section	192.4 Ų [M+H]+
Collision Cross Section	201.2 Ų [M-2H+Na]-

Physical description & handling notes

• Solid
• 201.3 Ų [M+Na-2H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
• 192 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
• 193.63 Ų [M+H]+ [CCS Type: DT; Method: stepped-field]
• 196.42 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
• 193.6 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

GHS Hazard Classification

Reported hazard statements	H315 (97.5%), H319 (97.5%), H335 (97.5%)

Documented Uses

• Beta Ureidopropionase Deficiency
• Folate malabsorption, hereditary
• Methylenetetrahydrofolate Reductase Deficiency (MTHFRD)
• MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy)
• UMP Synthase Deficiency (Orotic Aciduria)
• Total 10 pathways, visit the HMDB page for details

Synonyms

Dihydrofolic acid; dihydrofolate; 4033-27-6; 7,8-Dihydrofolic acid; 7,8-Dihydropteroylglutamate; KXP0KNM559; CHEBI:15633; DTXSID401027140; (2S)-2-[[4-[(2-amino-4-oxo-7,8-dihydro-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid; NSC-165989; (2S)-2-[(4-{[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid; (2S)-2-[[4-[(2-amino-4-oxo-7,8-dihydro-3H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid; (2S)-2-((4-(((2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl)amino)phenyl)formamido)pentanedioic acid; (2S)-2-((4-((2-amino-4-oxo-7,8-dihydro-1H-pteridin-6-yl)methylamino)benzoyl)amino)pentanedioic acid; (2S)-2-((4-((2-amino-4-oxo-7,8-dihydro-3H-pteridin-6-yl)methylamino)benzoyl)amino)pentanedioic acid; RefChem:587718

Frequently Asked Questions

What are the CAS number and molecular formula of dihydrofolic acid?

CAS 4033-27-6; molecular formula C19H21N7O6; molecular weight — g/mol.

What other names is dihydrofolic acid known by?

Dihydrofolic acid, dihydrofolate, 4033-27-6, 7,8-Dihydrofolic acid, 7,8-Dihydropteroylglutamate, KXP0KNM559.

Is dihydrofolic acid classified as hazardous?

Hazard statements reported: H315, H319, H335.

What are the key physical properties of dihydrofolic acid?

Collision Cross Section: 192 Ų [M-H]-; Collision Cross Section: 192.4 Ų [M+H]+; Collision Cross Section: 201.2 Ų [M-2H+Na]-.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.