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DL-Folic Acid

CAT: 1596-AR-F01949-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-F01949-01Size:10 Units
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CAS Number
65165-92-6
Synonyms
2- (4- (((2-amino-4-oxo-3,4-dihydropteridin-6-yl) methyl) amino) benzamido) pentanedioicacid; Kyselina listova;2- (4- (((2-Amino-4-oxo-3,4-dihydropteridin-6-yl) methyl) amino) benzamido) pentanedioic acid;2-[ (4-{[ (2-amino-4-hydroxypteridin-6-yl) methyl]amino}phenyl) carbonylamino]pent anedioic acid; Folate polyglutamate; Polyglutamate folate
Molecular Formula
C19H19N7O6
Molecular Weight
441.4
API Name
Folic Acid

Chemical Information

2-((4-((2-Amino-4-Oxo-1H-Pteridin-6-Yl)Methylamino)Benzoyl)Amino)Pentanedioic Acid

See also: Folic Acid (annotation moved to); Folate (annotation moved to) ... View More ...

CAS Number65165-92-6
PubChem CID135444779
IUPAC Name2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
Molecular FormulaC19H19N7O6
Molecular Weight441.4
XLogP-1.1
Topological Polar Surface Area209
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count32
Formal Charge0
Complexity767
SMILES
C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N
InChI
InChI=1S/C19H19N7O6/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/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)
InChIKey
OVBPIULPVIDEAO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-((4-((2-Amino-4-Oxo-1H-Pteridin-6-Yl)Methylamino)Benzoyl)Amino)Pentanedioic Acid
CAS: 65165-92-6
CID: 135444779
Formula: C19H19N7O6
MW: 441.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight441.4
XLogP3-1.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass441.13968135
Monoisotopic Mass441.13968135
Topological Polar Surface Area209 Ų
Heavy Atom Count32
Formal Charge0
Complexity767
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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