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Folic Acid-d2

CAT: 0572-TRC-F680304-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F680304-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
69022-87-3
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
[2H]C([2H])(Nc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)c2cnc3NC(=NC(=O)c3n2)N
Molecular Formula
C19H17D2N7O6
Molecular Weight
443.41
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Folic Acid-d2
CAS Number69022-87-3
PubChem CID136219944
IUPAC Name(2S)-2-[[4-[[(2-amino-4-oxo-3H-pteridin-6-yl)-dideuteriomethyl]amino]benzoyl]amino]pentanedioic acid
Molecular FormulaC19H19N7O6
Molecular Weight443.4
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
[2H]C([2H])(C1=CN=C2C(=N1)C(=O)NC(=N2)N)NC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
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)/t12-/m0/s1/i7D2
InChIKey
OVBPIULPVIDEAO-AJEQZRFCSA-N
Chemical Structure
2D Structure
2D structure of Folic Acid-d2
CAS: 69022-87-3
CID: 136219944
Formula: C19H19N7O6
MW: 443.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight443.4
XLogP3-1.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass443.15223484
Monoisotopic Mass443.15223484
Topological Polar Surface Area209 Ų
Heavy Atom Count32
Formal Charge0
Complexity767
Isotope Atom Count2
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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Alternative Products

CatalogName
HY-16637SFolic acid-d2
FF02403-01Folic acid

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