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Trans-3-Hydroxy-D-proline

CAT: 0926-FH45856-04Size: 0.5 gDry Ice: NoHazardous: No
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CAT#:0926-FH45856-04Size:0.5 g
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CAS Number
119677-21-3
Synonyms
(2R,3R) -3-Hydroxypyrrolidine-2-carboxylic acid
MDL Number
MFCD18070858
Smiles
C1CN[C@H] ([C@@H]1O) C (=O) O
Molecular Formula
C5H9NO3
Molecular Weight
131.13 g/mol
Controlled
No

Chemical Information

trans-3-hydroxy-D-proline

Trans-3-hydroxy-D-proline is the (3R)-trans--diastereomer of 3-hydroxy-D-proline. It has a role as a metabolite.

CAS Number119677-21-3
PubChem CID10725382
IUPAC Name(2R,3R)-3-hydroxypyrrolidine-2-carboxylic acid
Molecular FormulaC5H9NO3
Molecular Weight131.13
XLogP-3.2
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity125
SMILES
C1CN[C@H]([C@@H]1O)C(=O)O
InChI
InChI=1S/C5H9NO3/c7-3-1-2-6-4(3)5(8)9/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m1/s1
InChIKey
BJBUEDPLEOHJGE-QWWZWVQMSA-N
Chemical Structure
2D Structure
2D structure of trans-3-hydroxy-D-proline
CAS: 119677-21-3
CID: 10725382
Formula: C5H9NO3
MW: 131.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight131.13
XLogP3-3.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass131.058243149
Monoisotopic Mass131.058243149
Topological Polar Surface Area69.6 Ų
Heavy Atom Count9
Formal Charge0
Complexity125
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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