Basic information
- CAS
85979-33-5- Standard SMILES
C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)O- InChIKey
LLHOYOCAAURYRL-PHDIDXHHSA-N- Molecular formula
- C9H17NO5
- Average molar mass
- 219.23 g/mol
- Monoisotopic mass
- 219.11067264
Names & identifiers
- Preferred name
- (2R,3R)-2-{[(tert-butoxy)carbonyl]amino}-3-hydroxybutanoic acid
- IUPAC
- (2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
- English name
- D-Allothreonine, N-[(1,1-dimethylethoxy)carbonyl]- (9CI)
- Molecular formula
- C9H17NO5
- Molecular weight
- 219.24
Names & synonyms
85979-33-5(2R,3R)-2-{[(tert-butoxy)carbonyl]amino}-3-hydroxybutanoic acid(2R,3R)-2-(((tert-butoxy)carbonyl)amino)-3-hydroxybutanoic acidRefChem:397479860-514-3(2R,3R)-2-((tert-Butoxycarbonyl)amino)-3-hydroxybutanoic acidMFCD00076986N-Boc-D-allothreonineN-(tert-Butoxycarbonyl)-D-threonineN-[(1,1-DIMETHYLETHOXY)CARBONYL]-D-ALLOTHREONINE(2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acidN-Boc-D-threonine
Show more names
(tert-butoxycarbonyl)-D-allothreonine(2R,3R)-N-Boc-2-amino-3-hydroxybutyric acid(2R,3R)-2-((tert-Butoxycarbonyl)amino)-3-hydroxybutanoic acid - [B89034]
BOC-D-ALLO-THR-OHD-Allothreonine, N-[(1,1-dimethylethoxy)carbonyl]- (9CI)(2R,3R)-2-[(TERT-BUTOXYCARBONYL)AMINO]-3-HYDROXYBUTANOIC ACIDBoc-Allo-D-Thr-OHN-Boc-D-allo-threonineBOC-D-ALLOTHREONINEBOC-D(-)-allo-ThreonineD-Allothreonine, N-[(1,1-dimethylethoxy)carbonyl]-
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
- storage temp.
- 2 · Storage temp. 2-8°C
- Appearance
- White to off-white Solid
- optical activity
- -19.534 ° · -19.534°(C=0.01g/ml,CHCL3,20°C,589nm)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers17 total
江苏吉泰肽业科技有限公司18936337900 18936337900 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海缤马科技有限公司15262241608 · [email protected]
吉尔生化（玉门）有限公司18221406464 18221406464;13236395639 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
成都创科诚生物科技有限公司028-028-0000000 13008177686 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
成都康悦慧蓝医药技术有限公司028-81092800 17323275954 · [email protected]
上海英奇曼化学科技有限公司18299177127 · [email protected]
吉尔多肽生物制药（大连市）有限公司021-61263455 13167021076 · [email protected]
上海吉奉生物科技有限公司021-61263377 15023907684 · [email protected]
滨海吉尔多肽有限公司021-61263389 13524856427 · [email protected]
Related reactions
2 records
Compound notes
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