(S)-N-Boc-3-amino-5-tetrahydrofuranone - CAS 104227-71-6
Catalog: |
BB001362 |
Product Name: |
(S)-N-Boc-3-amino-5-tetrahydrofuranone |
CAS: |
104227-71-6 |
Synonyms: |
N-[(3S)-5-oxo-3-oxolanyl]carbamic acid tert-butyl ester; tert-butyl N-[(3S)-5-oxooxolan-3-yl]carbamate |
IUPAC Name: | tert-butyl N-[(3S)-5-oxooxolan-3-yl]carbamate |
Description: | (S)-N-Boc-3-amino-5-tetrahydrofuranone (CAS# 104227-71-6) is a useful reagent in the study of asymmetric synthesis of protected amino acids consitutnes of cyclomarin A. |
Molecular Weight: | 201.22 |
Molecular Formula: | C9H15NO4 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1CC(=O)OC1 |
InChI: | InChI=1S/C9H15NO4/c1-9(2,3)14-8(12)10-6-4-7(11)13-5-6/h6H,4-5H2,1-3H3,(H,10,12)/t6-/m0/s1 |
InChI Key: | XODLOLQRSQGSFE-LURJTMIESA-N |
Boiling Point: | 363.7 °C at 760 mmHg |
Density: | 1.15 g/cm3 |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 0.87630 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
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Complexity: | 244 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 201.10010796 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 201.10010796 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 64.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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