(+)-(1R,2R,5R)--Ethyl [(2-Hydroxypinan-3-ylene)amino]acetate - CAS 90473-01-1
Catalog: |
BB056058 |
Product Name: |
(+)-(1R,2R,5R)--Ethyl [(2-Hydroxypinan-3-ylene)amino]acetate |
CAS: |
90473-01-1 |
Synonyms: |
N-[(1R,2R,5R)-2-Hydroxy-2,6,6-trimethylbicyclo[3.1.1]hept-3-ylidene]-glycine Ethyl Ester; [1R-(1α,2α,5α)]-N-(2-hydroxy-2,6,6-trimethylbicyclo[3.1.1]hept-3-ylidene)-glycine Ethyl Ester |
IUPAC Name: | ethyl 2-[[(1R,2R,5R)-2-hydroxy-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]amino]acetate |
Description: | (+)-(1R,2R,5R)-2-Hydroxy-3-pinanone (H952000) derivative. Intermediate in the synthesis of D-erythro-Sphingosine (S681000). |
Molecular Weight: | 253.34 |
Molecular Formula: | C14H23NO3 |
Canonical SMILES: | CCOC(=O)CN=C1CC2CC(C2(C)C)C1(C)O |
InChI: | InChI=1S/C14H23NO3/c1-5-18-12(16)8-15-11-7-9-6-10(13(9,2)3)14(11,4)17/h9-10,17H,5-8H2,1-4H3/t9-,10-,14-/m1/s1 |
InChI Key: | XVHYGWSRXODAMH-GPCCPHFNSA-N |
Solubility: | Dichloromethane, Methanol |
Appearance: | Clear Liquid |
Storage: | - 86°C, Hygroscopic |
Complexity: | 389 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 3 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 253.1677936 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 253.1677936 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 58.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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