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Trans-4-Hydroxy-L-proline-2,5,5-d3

CAT: 1596-AR-P32735-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P32735-01Size:10 Units
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CAS Number
1356016-86-8
Molecular Formula
C5H6D3NO3
Molecular Weight
134.15
API Name
Proline

Chemical Information

trans-4-Hydroxy-L-proline-2,5,5-d3
CAS Number1356016-86-8
PubChem CID71749212
IUPAC Name(2S,4R)-2,5,5-trideuterio-4-hydroxypyrrolidine-2-carboxylic acid
Molecular FormulaC5H9NO3
Molecular Weight134.15
XLogP-3.3
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity125
SMILES
[2H][C@]1(C[C@H](C(N1)([2H])[2H])O)C(=O)O
InChI
InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1/i2D2,4D
InChIKey
PMMYEEVYMWASQN-QAFFOARNSA-N
Chemical Structure
2D Structure
2D structure of trans-4-Hydroxy-L-proline-2,5,5-d3
CAS: 1356016-86-8
CID: 71749212
Formula: C5H9NO3
MW: 134.15
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight134.15
XLogP3-3.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass134.077073387
Monoisotopic Mass134.077073387
Topological Polar Surface Area69.6 Ų
Heavy Atom Count9
Formal Charge0
Complexity125
Isotope Atom Count3
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes