Basic information
- CAS
40371-50-4- Standard SMILES
O=C(NCC[C@H](O)C(=O)O)OCc1ccccc1- InChIKey
ULKOBRDRCYROKY-JTQLQIEISA-N- Molecular formula
- C12H15NO5
- Average molar mass
- 253.25 g/mol
- Monoisotopic mass
- 253.09502258
Names & identifiers
- Preferred name
- (S)-2-Hydroxy-4-(((phenylmethoxy)carbonyl)amino)butyric acid
- IUPAC
- (2S)-2-hydroxy-4-(phenylmethoxycarbonylamino)butanoic acid
- English name
- (S)-N-Carbobenzyloxy-4-amino-2-hydroxybutyric acid
- Molecular formula
- C12H15NO5
- Molecular weight
- 253.25
Names & synonyms
EINECS 254-892-3(S)-2-Hydroxy-4-(((phenylmethoxy)carbonyl)amino)butyric acid(S)-2-Hydroxy-4-[[(phenylmethoxy)carbonyl]amino]butyric acid(2S)-2-Hydroxy-4-[[(phenylmethoxy)carbonyl]amino]butanoic acid(2S)-2-Hydroxy-4-(((phenylmethoxy)carbonyl)amino)butanoic acidRefChem:407939254-892-340371-50-4(S)-N-CBZ-4-amino-2-hydroxybutyric acid(S)-N-Carbobenzyloxy-4-amino-2-hydroxybutyric acidMFCD00209957(S)-(+)-N-Carboxybenzoyl-4-Amino-2-hydroxybutyric Acid
Show more names
(S)-CBZ-HABAZ-(S)-HABA-OHCBZ-S-(+)-L-HABAAmikacin Intermediate Cbz-L-Haba(S)-(-)-Z-2-Hydroxy-4-aminobutyric acidL-(-)-A-HYDROXY-G-CBZ-AMINOBUTYRIC ACID
(S)-4-(((benzyloxy)carbonyl)amino)-2-hydroxybutanoic acid(2S)-2-hydroxy-4-(phenylmethoxycarbonylamino)butanoic acid(2S)-4-{[(benzyloxy)carbonyl]amino}-2-hydroxybutanoic acidCbz-HABA(S)-4-(Cbz-amino)-2-hydroxybutanoic Acid(s)-4-benzyloxycarbonylamino-2-hydroxybutyric acid(S)-(+)-Z-4-Amino-2-hydroxybutyric acid(2S)-2-hydroxy-4-[(phenylmethoxy)carbonylamino]butanoic acid
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 276
Physicochemical properties
- Melting point
- 75 · 75-78 °C(lit.)
- alpha
- 10 · 10 º (c=1, chloroform)
- Boiling point
- 396.45 °C · 396.45°C (rough estimate)
- Density
- 1.2499 · 1.2499 (rough estimate)
- refractive index
- 1.52 · 1.5200 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 3.73 · 3.73±0.10(Predicted)
- color
- White
- optical activity
- Consistent with structure
- InChI
- InChI=1S/C12H15NO5/c14-10(11(15)16)6-7-13-12(17)18-8-9-4-2-1-3-5-9/h1-5,10,14H,6-8H2,(H,13,17)(H,15,16)/t10-/m0/s1
- InChIKey
- ULKOBRDRCYROKY-JTQLQIEISA-N
- SMILES
- C(O)(=O)[C@@H](O)CCNC(OCC1=CC=CC=C1)=O
- CAS DataBase Reference
- 40371 · 40371-50-4(CAS DataBase Reference)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 29242990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses(S)-(+)-Z-4-Amino-2-hydroxybutyric Acid is used in the synthesis of aminoglycoside antibiotics.
Upstream & downstream products
Upstream raw materials
Suppliers97 total
上海康恩博医药科技有限公司17510465506 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
湖北宥澄新材料科技有限公司17764017698 13163370568 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
5 records
Compound notes
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