Basic information
- CAS
3398-22-9- Standard SMILES
O=C(O)[C@H]1C[C@H](O)CN1- InChIKey
PMMYEEVYMWASQN-IUYQGCFVSA-N- Molecular formula
- C5H9NO3
- Average molar mass
- 131.13 g/mol
Overview
Trans-4-hydroxy-D-proline is a 4-hydroxy-D-proline in which the hydroxy group at position 4 has S-configuration.
Names & identifiers
- Preferred name
- (2R,4S)-4-hydroxypyrrolidine-2-carboxylic acid
- IUPAC
- (2R,4S)-4-hydroxypyrrolidine-2-carboxylic acid
- English name
- trans-4-Hydroxy-D-proline
- Molecular formula
- C5H9NO3
- Molecular weight
- 131.13
Names & synonyms
(2R,4S)-4-hydroxypyrrolidine-2-carboxylic acidRefChem:397639625-221-5trans-4-Hydroxy-D-proline3398-22-9H-D-Hyp-OH(4S)-4-hydroxy-D-prolineMFCD00065608trans-D-4-HydroxyprolineD-Proline, 4-hydroxy-, (4S)-D-Hyp-OH(2R,4S)-4-Hydroxy-pyrrolidine-2-carboxylic acid
Show more names
H-D-Hyp-OH.HCLD-HYDROXYPYROLINEIn1122 Impurity 57D-hydroxyl prolineD-trans-HydroxyproliH-D-PRO(4-HYDROXY)-OH
(2R,4S)-4-hydroxypyrrolidin-1-ium-2-carboxylated-hydroxyprolineAKOS006349670DS-14000EN300-91230UY7SCHEMBL200243orb2946021
Database identifiers
- CAS
3398-22-9- PubChem CID
- 440074
- ChEBI
CHEBI:27992- EC Number
- 625-221-5
- Nikkaji
- J1.115.736J
Properties
Computed structural properties
- XLogP
- -3.3
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 125
Physicochemical properties
- Melting point
- 260 °C · 260°C
- Boiling point
- 355.2 · 355.2±42.0 °C(Predicted)
- Density
- 1.395 · 1.395±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 2.14 · 2.14±0.40(Predicted)
- form
- powder
- color
- White to off-white
- Major Application
- peptide synthesis
- 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+/m0/s1
- InChIKey
- PMMYEEVYMWASQN-IUYQGCFVSA-N
- SMILES
- C(O)(=O)[C@H]1C[C@H](O)CN1
- CAS DataBase Reference
- 3398 · 3398-22-9(CAS DataBase Reference)
- UNSPSC Code
- 12352209 · 12352209
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Danger
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- hs_code
- 29339900
- risk_code
- 22-36/37/38-43
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08
- hazard_code
- Xn
- safety_code
- 24/25-36/37-26
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H334-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P301+P312+P330-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Usespeptide synthesis
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
常州帝通化工有限公司+86-0519-88298848 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.
Related reactions
3 records
Compound notes
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