Homofolic acid

CAT: 0931-T32100Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T32100Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

3566-25-4

Target

Others

Related Pathways

Others

Bioactivity

Homofolic acid is a folic acid analog.

Smiles

O=C1C=2C(NC=C(CCNC3=CC=C(C(N[C@@H](CCC(O)=O)C(O)=O)=O)C=C3)N2)=NC(N)=N1

Molecular Formula

C20H21N7O6

Molecular Weight

455.42

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Homofolic acid

major descriptor (75-84); on-line search FOLIC ACID/AA (75-84); Index Medicus search HOMOFOLIC ACID/*analogs (75-84)

CAS Number	3566-25-4
PubChem CID	135436548
IUPAC Name	(2S)-2-[[4-[2-(2-amino-4-oxo-3H-pteridin-6-yl)ethylamino]benzoyl]amino]pentanedioic acid
Molecular Formula	C20H21N7O6
Molecular Weight	455.4
XLogP	-0.6
Topological Polar Surface Area	209
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	10
Heavy Atom Count	33
Formal Charge	0
Complexity	783

SMILES

C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCCC2=CN=C3C(=N2)C(=O)NC(=N3)N

InChI

InChI=1S/C20H21N7O6/c21-20-26-16-15(18(31)27-20)24-12(9-23-16)7-8-22-11-3-1-10(2-4-11)17(30)25-13(19(32)33)5-6-14(28)29/h1-4,9,13,22H,5-8H2,(H,25,30)(H,28,29)(H,32,33)(H3,21,23,26,27,31)/t13-/m0/s1

InChIKey

QXARTGUOGAZGKO-ZDUSSCGKSA-N

Chemical Structure

2D Structure

CAS: 3566-25-4

CID: 135436548

Formula: C20H21N7O6

MW: 455.4

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	455.4
XLogP3	-0.6
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	10
Exact Mass	455.15533142
Monoisotopic Mass	455.15533142
Topological Polar Surface Area	209 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	783
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
TRC-H592890-200MG	Homofolic Acid
OR1071368-01	Acid-apeg6-acid
MBS6083807-01	Medronic Acid (Methylenebiphosphonic Acid, Methylenediphosphonic Acid, Methanebisphosphonic Acid, Methanediphosphonic Acid, MDP)
L2500-01	Lipoic Acid (Thioctic Acid, (±) -α-Lipoic Acid)
041005	Cacodylic Acid (dimethylarsonic acid, dimethylarsinic acid)
MBS641082-01	Lipoic Acid (Thioctic Acid, Alpha Lipoic Acid)
275335-01	Ethylenediaminediacetic acid dipropionic acid
O8099-01	Oxalacetic Acid (Oxaloacetic acid)
MBS6036559-01	a-Lipoic Acid (Thioctic Acid)
MBS651473-01	Ambuic acid ((+)-Ambuic acid)

Homofolic acid

Chemical Information

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