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N-Nitroso-Folic Acid

CAT: 1299-RM-F120375-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-F120375-01Size:10 mg
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CAS Number
26360-21-4
Synonyms
(4- (((2-amino-4-oxo-1,4-dihydropteridin-6-yl) methyl) (nitroso) amino) benzoyl) -L-glutamic acid
Molecular Formula
C19H18N8O7
Molecular Weight
470.4
Target Alternative Name
Folic Acid
Product Name Synonym
(4- (((2-amino-4-oxo-1,4-dihydropteridin-6-yl) methyl) (nitroso) amino) benzoyl) -L-glutamic acid

Chemical Information

N-Nitroso-Folic Acid
CAS Number26360-21-4
PubChem CID136029229
IUPAC Name(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-nitrosoamino]benzoyl]amino]pentanedioic acid
Molecular FormulaC19H18N8O7
Molecular Weight470.4
XLogP-1.2
Topological Polar Surface Area230
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count9
Heavy Atom Count34
Formal Charge0
Complexity845
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)N=O
InChI
InChI=1S/C19H18N8O7/c20-19-24-15-14(17(31)25-19)22-10(7-21-15)8-27(26-34)11-3-1-9(2-4-11)16(30)23-12(18(32)33)5-6-13(28)29/h1-4,7,12H,5-6,8H2,(H,23,30)(H,28,29)(H,32,33)(H3,20,21,24,25,31)/t12-/m0/s1
InChIKey
QPWWRIJXAKSKLU-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of N-Nitroso-Folic Acid
CAS: 26360-21-4
CID: 136029229
Formula: C19H18N8O7
MW: 470.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight470.4
XLogP3-1.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count9
Exact Mass470.12984494
Monoisotopic Mass470.12984494
Topological Polar Surface Area230 Ų
Heavy Atom Count34
Formal Charge0
Complexity845
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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CatalogName
AR-F10704-01N-Nitroso Folic Acid-d4
AR-F11176-01N-Nitroso Folic acid Impurity 2
KL-06-00104N-Nitroso Folic Acid (Mixtures of Isomers)
AR-F10720-01N10-Nitroso Folic Acid Trifluoroacetate
AR-F10737-01N1-Nitroso Folinic Acid (N1-Nitroso Folic Acid USP Related Compound A, N1-Nitroso Leucovorin)
AR-C05826-01N2-Nitroso Folinate (N2-Nitroso Folic Acid USP Related Compound A, N2-Nitroso Leucovorin)
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