cis-4-hydroxy-D-proline zwitterion
Basic information
- CAS
2584-71-6- Standard SMILES
O=C([O-])[C@H]1C[C@@H](O)C[NH2+]1- InChIKey
PMMYEEVYMWASQN-QWWZWVQMSA-N- Molecular formula
- C5H9NO3
- Average molar mass
- 131.13 g/mol
- Monoisotopic mass
- 131.05824315
Overview
Cis-4-hydroxy-D-proline zwitterion is zwitterionic form of cis-4-hydroxy-D-proline having an anionic carboxy group and a protonated amino group. It is a tautomer of a cis-4-hydroxy-D-proline.
Names & identifiers
- Preferred name
- cis-4-hydroxy-D-proline zwitterion
- IUPAC
- (2R,4R)-4-hydroxypyrrolidin-1-ium-2-carboxylate
- English name
- cis-4-Hydroxy-D-proline
- Molecular formula
- C5H9NO3
- Molecular weight
- 131.13
Names & synonyms
CHEBI:57690cis-4-hydroxy-D-proline zwitterion(2R,4R)-4-HYDROXYPYRROLIDINE-2-CARBOXYLIC ACIDD-cis-Hyp-OHH-D-CIS-HYP-OHNSC 524341Proline Impurity 23CIS-D-HYDROXYPROLINED-CIS-HYDROXYPROLINE4β-Hydroxy-D-prolinecis-4-Hydroxy-D-prolD-ALLO-HYDROXYPROLINE
Database identifiers
- CAS
2584-71-6- PubChem CID
- 6971279
- ChEBI
CHEBI:57690
Properties
Computed structural properties
- XLogP
- -2.7
- Topological polar surface area
- 77 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 120
Physicochemical properties
- Melting point
- 243 °C · 243 °C (dec.)(lit.)
- alpha
- 58 · 58 º (c=2, water 24 ºC)
- Boiling point
- 242.42 °C · 242.42°C (rough estimate)
- Density
- 1.3121 · 1.3121 (rough estimate)
- refractive index
- 1.43 · 1.4300 (estimate)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Water (Slightly)
- form
- Powder
- pka
- 2.14 · 2.14±0.40(Predicted)
- color
- White
- optical activity
- 56.1 ° · 56.1°(C=0.93 g/100ml H2O)
- Water Solubility
- 5 g/100 · 5 g/100 mL
- BRN
- 81439 · 81439
- 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
- InChIKey
- PMMYEEVYMWASQN-QWWZWVQMSA-N
- SMILES
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 10
- wgk
- 3
- hs_code
- 29339900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 24/25-22-36/37/39-27-26
- Storage Class
- 13 - Non Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P271-P280
Chemistry & industry
Applications
Usescis-4-Hydroxy-D-proline (cas# 2584-71-6) is a compound useful in organic synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
Additional notes
DefinitionChEBI: D-proline in which a hydrogen at the 4-position of the pyrrolidine ring is substituted by a hydroxy group (R-configuration).
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Compound notes
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