Basic information
- CAS
23082-30-6- Standard SMILES
C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)O- InChIKey
LLHOYOCAAURYRL-WDSKDSINSA-N- Molecular formula
- C9H17NO5
- Average molar mass
- 219.23 g/mol
Names & identifiers
- Preferred name
- (2S,3S)-2-{[(tert-butoxy)carbonyl]amino}-3-hydroxybutanoic acid
- IUPAC
- (2S,3S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
- English name
- Boc-Thr-OH dcha
- Molecular formula
- C9H17NO5
- Molecular weight
- 219.24
Names & synonyms
23082-30-6(2S,3S)-2-{[(tert-butoxy)carbonyl]amino}-3-hydroxybutanoic acid(2S,3S)-2-(((tert-butoxy)carbonyl)amino)-3-hydroxybutanoic acidRefChem:398821988-084-3N-Boc-L-Allothreonine(2S,3S)-2-((tert-Butoxycarbonyl)amino)-3-hydroxybutanoic acidBOC-THR-OH DCHABoc-Allo-Thr-OHL-Allothreonine, N-[(1,1-dimethylethoxy)carbonyl]-MFCD23134619N-Boc-L-allo-threonine
Show more names
Boc-Allo-Thr.DCHABoc-L-allo-Thr-OHBOC-L-allothreonineBOC-L-THREONINE DCHA
(2S,3S)-2-[(tert-butoxycarbonyl)amino]-3-hydroxybutanoic acid(2S,3S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acidN-(tert-Butoxycarbonyl)-D-threonineboc-allothreonineBoc-Allo-Thr-OH DCHASCHEMBL999110BOC-L-ALLO-THR-OH DCHALLHOYOCAAURYRL-WDSKDSINSA-N
Database identifiers
- CAS
23082-30-6
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 245
Physicochemical properties
- Boiling point
- 387.1 · 387.1±37.0 °C(Predicted)
- Density
- 1.202 · 1.202±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.6 · 3.60±0.10(Predicted)
- Appearance
- White to off-white Solid
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers60 total
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
河南英田生物科技有限公司0370-4053511; 18339993703 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
Related reactions
5 records
Compound notes
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