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5-Oxo-L-proline-d5

CAT: 0572-TRC-O858977-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-O858977-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1086136-22-2
Hazard Statement
Causes serious eye damage
Purity
>95% (HPLC)
Smiles
[2H]C1([2H])C(=O)N[C@@]([2H])(C(=O)O)C1([2H])[2H]
Molecular Formula
C5 2H5 H2 N O3
Molecular Weight
134.14
InChI
InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m1/s1/i1D2,2D2,3D
Additionnal Information
IUPAC name: (2R)-2,3,3,4,4-pentadeuterio-5-oxopyrrolidine-2-carboxylic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

(2S)-1,2,3,3,4-pentadeuterio-5-oxopyrrolidine-2-carboxylic acid

See also: D-Pyroglutamic acid (annotation moved to); L-Pyroglutamic Acid (annotation moved to).

CAS Number1086136-22-2
PubChem CID131698836
IUPAC Name(2S)-1,2,3,3,4-pentadeuterio-5-oxopyrrolidine-2-carboxylic acid
Molecular FormulaC5H7NO3
Molecular Weight134.14
XLogP-0.8
Topological Polar Surface Area66.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity154
SMILES
[2H]C1C(=O)N([C@](C1([2H])[2H])([2H])C(=O)O)[2H]
InChI
InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1/i1D2,2D,3D/hD/t2?,3-
InChIKey
ODHCTXKNWHHXJC-MIFBWXGCSA-N
Chemical Structure
2D Structure
2D structure of (2S)-1,2,3,3,4-pentadeuterio-5-oxopyrrolidine-2-carboxylic acid
CAS: 1086136-22-2
CID: 131698836
Formula: C5H7NO3
MW: 134.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight134.14
XLogP3-0.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass134.073976815
Monoisotopic Mass134.073976815
Topological Polar Surface Area66.4 Ų
Heavy Atom Count9
Formal Charge0
Complexity154
Isotope Atom Count5
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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