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Tetrahydrofolic acid

CAT: 0024-sc-215955ASize: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-215955ASize:100 mg
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CAS Number
135-16-0

Chemical Information

Tetrahydrofolic acid

5,6,7,8-tetrahydrofolic acid is a tetrahydrofolic acid. It has a role as a Saccharomyces cerevisiae metabolite. It is a conjugate acid of a 5,6,7,8-tetrahydrofolate(2-).

CAS Number135-16-0
PubChem CID135444742
IUPAC Name(2S)-2-[[4-[(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
Molecular FormulaC19H23N7O6
Molecular Weight445.4
XLogP-0.6
Topological Polar Surface Area207
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count32
Formal Charge0
Complexity834
SMILES
C1C(NC2=C(N1)N=C(NC2=O)N)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChI
InChI=1S/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t11?,12-/m0/s1
InChIKey
MSTNYGQPCMXVAQ-KIYNQFGBSA-N
Chemical Structure
2D Structure
2D structure of Tetrahydrofolic acid
CAS: 135-16-0
CID: 135444742
Formula: C19H23N7O6
MW: 445.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight445.4
XLogP3-0.6
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass445.17098148
Monoisotopic Mass445.17098148
Topological Polar Surface Area207 Ų
Heavy Atom Count32
Formal Charge0
Complexity834
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes