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(6R) -Mefox

CAT: 1596-AR-F01940-05Size: 150Dry Ice: NoHazardous: No
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CAT#:1596-AR-F01940-05Size:150
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2305206-68-0
Synonyms
(S) -2- (4- ((((R) -2-amino-8-methyl-4,9-dioxo-6,7,8,9-tetrahydro-4H-pyrazino[1,2-a][1,3,5]triazin-7-yl) methyl) amino) benzamido) pentanedioicacid
Molecular Formula
C20H23N7O7
Molecular Weight
473.45
API Name
Folic Acid

Chemical Information

(6R)-mefox
CAS Number2305206-68-0
PubChem CID91865030
IUPAC Name(2S)-2-[[4-[[(7R)-2-amino-8-methyl-4,9-dioxo-6,7-dihydropyrazino[1,2-a][1,3,5]triazin-7-yl]methylamino]benzoyl]amino]pentanedioic acid
Molecular FormulaC20H23N7O7
Molecular Weight473.4
XLogP-0.9
Topological Polar Surface Area207
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count34
Formal Charge0
Complexity926
SMILES
CN1[C@@H](CN2C(=NC(=NC2=O)N)C1=O)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChI
InChI=1S/C20H23N7O7/c1-26-12(9-27-15(17(26)31)24-19(21)25-20(27)34)8-22-11-4-2-10(3-5-11)16(30)23-13(18(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,23,30)(H,28,29)(H,32,33)(H2,21,25,34)/t12-,13+/m1/s1
InChIKey
AFIMZPFBSYESNQ-OLZOCXBDSA-N
Chemical Structure
2D Structure
2D structure of (6R)-mefox
CAS: 2305206-68-0
CID: 91865030
Formula: C20H23N7O7
MW: 473.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight473.4
XLogP3-0.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass473.16589610
Monoisotopic Mass473.16589610
Topological Polar Surface Area207 Ų
Heavy Atom Count34
Formal Charge0
Complexity926
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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RM-M053501-01(6R) -Mefox
HY-121652-01Mefox
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T8934-01(6R) -FR054
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5560356R-FR054
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