Basic information
- CAS
174801-33-3- Standard SMILES
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)[C@H](O)CCl- InChIKey
ANUFXNUKGPALOJ-VQTJNVASSA-N- Molecular formula
- C22H28ClNO4
- Average molar mass
- 405.9 g/mol
- Monoisotopic mass
- 405.1706861
Names & identifiers
- Preferred name
- tert-Butyl ((2S,3S)-1-(4-(benzyloxy)phenyl)-4-chloro-3-hydroxybutan-2-yl)carbamate
- IUPAC
- tert-butyl N-[(2S,3S)-4-chloro-3-hydroxy-1-(4-phenylmethoxyphenyl)butan-2-yl]carbamate
- English name
- tert-butyl (2S,3S)-1-(4-(benzyloxy)phenyl)-4-chloro-3-hydroxybutan-2-ylcarbamate
- Molecular formula
- C22H28ClNO4
- Molecular weight
- 405.92
Names & synonyms
174801-33-3tert-Butyl ((2S,3S)-1-(4-(benzyloxy)phenyl)-4-chloro-3-hydroxybutan-2-yl)carbamateTERT-BUTYL (2S,3S)-1-(4-(BENZYLOXY)PHENYL)-4-CHLORO-3-HYDROXYBUTAN-2-YLCARBAMATEMFCD04035565tert-butyl N-[(2S,3S)-4-chloro-3-hydroxy-1-(4-phenylmethoxyphenyl)butan-2-yl]carbamateCarbamic acid, N-[(1S,2S)-3-chloro-2-hydroxy-1-[[4-(phenylmethoxy)phenyl]methyl]propyl]-, 1,1-dimethylethyl esterC22H28ClNO4tert-Butyl {(2S,3S)-1-[4-(benzyloxy)phenyl]-4-chloro-3-hydroxybutan-2-yl}carbamateANUFXNUKGPALOJ-VQTJNVASSA-NSCHEMBL6158094DTXSID20443596SC5042
Show more names
TERT-BUTYL N-[(2S,3S)-1-[4-(BENZYLOXY)PHENYL]-4-CHLORO-3-HYDROXYBUTAN-2-YL]CARBAMATEBS-49403CS-0162357F690636(2S,3S)-N-tert-butoxycarbonyl-3-amino-4-(4-benzyloxyphenyl)-1-chloro-2-hydroxybutanetert-butyl N-[(1S,2S)-1-[(4-benzyloxyphenyl)methyl]-3-chloro-2-hydroxy-propyl]carbamatetert-Butyl((2S,3S)-1-(4-(benzyloxy)phenyl)-4-chloro-3-hydroxybutan-2-yl)carbamate
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 454
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers10 total
上海超悦化学科技有限公司（原上海斯比德化学）21-65679720 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
江苏艾康生物医药研发有限公司17714375163 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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