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5-DACTHF

CAT: 0013-GTR19199824-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199824-02Size:50 mg
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Description
5,11-methenyltetrahydrohomofolate
CAS Number
118252-44-1
Field of Research
Cell Biology, Molecular Biology
Smiles
C (CCNC1=CC=C (C (N[C@@H] (CCC (O) =O) C (O) =O) =O) C=C1) C2=C (N) NC (N) =NC2=O
Molecular Formula
C19H24N6O6
Molecular Weight
432.43
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5,11-Methenyltetrahydrohomofolate
CAS Number118252-44-1
PubChem CID135407589
IUPAC Name(2S)-2-[[4-[3-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)propylamino]benzoyl]amino]pentanedioic acid
Molecular FormulaC19H24N6O6
Molecular Weight432.4
XLogP-0.7
Topological Polar Surface Area209
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Heavy Atom Count31
Formal Charge0
Complexity772
SMILES
C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCCCC2=C(N=C(NC2=O)N)N
InChI
InChI=1S/C19H24N6O6/c20-15-12(17(29)25-19(21)24-15)2-1-9-22-11-5-3-10(4-6-11)16(28)23-13(18(30)31)7-8-14(26)27/h3-6,13,22H,1-2,7-9H2,(H,23,28)(H,26,27)(H,30,31)(H5,20,21,24,25,29)/t13-/m0/s1
InChIKey
CPVRCGLCOADOPV-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of 5,11-Methenyltetrahydrohomofolate
CAS: 118252-44-1
CID: 135407589
Formula: C19H24N6O6
MW: 432.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight432.4
XLogP3-0.7
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Exact Mass432.17573251
Monoisotopic Mass432.17573251
Topological Polar Surface Area209 Ų
Heavy Atom Count31
Formal Charge0
Complexity772
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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