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10-Formylfolic Acid

CAT: 1266-JH919929Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
134-05-4
Molecular Formula
C20H19N7O7
Molecular Weight
469.41

Chemical Information

10-Formylfolic acid

10-Formylfolic acid has been reported in Capsicum annuum var. annuum with data available.

CAS Number134-05-4
PubChem CID135405023
IUPAC Name(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-formylamino]benzoyl]amino]pentanedioic acid
Molecular FormulaC20H19N7O7
Molecular Weight469.4
XLogP-1.7
Topological Polar Surface Area217
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count34
Formal Charge0
Complexity843
SMILES
C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(CC2=CN=C3C(=N2)C(=O)NC(=N3)N)C=O
InChI
InChI=1S/C20H19N7O7/c21-20-25-16-15(18(32)26-20)23-11(7-22-16)8-27(9-28)12-3-1-10(2-4-12)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,7,9,13H,5-6,8H2,(H,24,31)(H,29,30)(H,33,34)(H3,21,22,25,26,32)/t13-/m0/s1
InChIKey
UGWUWNVTCLDEOG-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of 10-Formylfolic acid
CAS: 134-05-4
CID: 135405023
Formula: C20H19N7O7
MW: 469.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight469.4
XLogP3-1.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass469.13459597
Monoisotopic Mass469.13459597
Topological Polar Surface Area217 Ų
Heavy Atom Count34
Formal Charge0
Complexity843
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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