(1S,4R)-4-Amino-2-cyclopentene-1-carboxylic Acid Methyl Ester L-Tartrate - CAS 419563-22-7
Catalog: |
BB074922 |
Product Name: |
(1S,4R)-4-Amino-2-cyclopentene-1-carboxylic Acid Methyl Ester L-Tartrate |
CAS: |
419563-22-7 |
Synonyms: |
(1S,4R)-4-Amino-2-cyclopentene-1-carboxylic Acid Methyl Ester (2R,3R)-2,3-Dihydroxybutanedioate |
IUPAC Name: | (2R,3R)-2,3-dihydroxybutanedioic acidmethyl (1S,4R)-4-aminocyclopent-2-ene-1-carboxylate |
Description: | (1S,4R)-4-Amino-2-cyclopentene-1-carboxylic Acid Methyl Ester is an intermediate used in the synthesis of peramivir (P285500), a neuraminidase inhibitor developed as an antiviral agent for the treatment of influenza. |
Molecular Weight: | 291.25 |
Molecular Formula: | C11H17NO8 |
Canonical SMILES: | COC(=O)C1CC(C=C1)N.C(C(C(=O)O)O)(C(=O)O)O |
InChI: | InChI=1S/C7H11NO2.C4H6O6/c1-10-7(9)5-2-3-6(8)4-55-1(3(7)8)2(6)4(9)10/h2-3,5-6H,4,8H2,1H31-2,5-6H,(H,7,8)(H,9,10)/t5-,6+1-,2-/m11/s1 |
InChI Key: | XSEHIOOHMZAFCV-IBSOYGIKSA-N |
Melting Point: | 166-168°C |
Solubility: | DMSO (Sparingly), Water |
Appearance: | Off-White to Light Beige Solid |
Storage: | -20°C |
References: | Hansen, T., et al. Europ. J. Med. Chem., 58, 22 (2012). |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264+P265, P280, P305+P351+P338, and P337+P317 |
Signal Word: | Warning |
Complexity: | 299 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 4 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 291.0954165 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 9 |
Hydrogen Bond Donor Count: | 5 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 291.0954165 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 167Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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