Folitixorin

CAT: 1596-AR-F09361-01Size: 50 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-F09361-01Size:50 Units

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CAS Number

3432-99-3

Synonyms

N-[4- (3-Amino-1,2,5,6,6a,7-hexahydro-1-oxoimidazo[1,5-f]pteridin-8 (9H) -yl) benzoyl]-L-glutamic Acid; 5,10-Methylenetetrahydrofolic acid

Molecular Formula

C20H23N7O6

Molecular Weight

457.45

API Name

Folic Acid

Chemical Information

5,10-Methylene-5,6,7,8-tetrahydrofolic acid

5,10-methylenetetrahydrofolic acid is a member of benzamides and a methylenetetrahydrofolic acid. It is a conjugate acid of a 5,10-methylenetetrahydrofolate(2-).

CAS Number	3432-99-3
PubChem CID	135400185
IUPAC Name	(2S)-2-[[4-(3-amino-1-oxo-2,5,6,6a,7,9-hexahydroimidazo[1,5-f]pteridin-8-yl)benzoyl]amino]pentanedioic acid
Molecular Formula	C20H23N7O6
Molecular Weight	457.4
XLogP	-0.5
Topological Polar Surface Area	190
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	7
Heavy Atom Count	33
Formal Charge	0
Complexity	911

SMILES

C1C2CN(CN2C3=C(N1)N=C(NC3=O)N)C4=CC=C(C=C4)C(=O)N[C@@H](CCC(=O)O)C(=O)O

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-/m0/s1

InChIKey

QYNUQALWYRSVHF-ABLWVSNPSA-N

Chemical Structure

2D Structure

CAS: 3432-99-3

CID: 135400185

Formula: C20H23N7O6

MW: 457.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	457.4
XLogP3	-0.5
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	7
Exact Mass	457.17098148
Monoisotopic Mass	457.17098148
Topological Polar Surface Area	190 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	911
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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MBS5773002	Folitixorin
HY-W766751	Folitixorin-d4
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MBS5781429	Folitixorin sodium
HY-14769A	Folitixorin (calcium)
sc-470660A	Folitixorin (Mixture of Diastereomers)
T31840-01	Folitixorin calcium, (6R) -
T31841-01	Folitixorin calcium, (6S) -
MBS5796730	Folitixorin calcium, (6S)-
MBS5781430	Folitixorin calcium, (6R)-

Folitixorin

Chemical Information

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