N-Benzyloxycarbonyl DL-threo-b-(3,4-Methylenedioxyphenyl)serine - CAS 88295-23-2
Catalog: |
BB073601 |
Product Name: |
N-Benzyloxycarbonyl DL-threo-b-(3,4-Methylenedioxyphenyl)serine |
CAS: |
88295-23-2 |
Synonyms: |
(R,S)-rel-α-Amino-N-benzyloxycarbonyl-β-hydroxy-1,3-benzodioxole-5-propanoic Acid |
IUPAC Name: | (2S,3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoic acid |
Description: | Intermediate in the preparation of DL-threo-Droxidopa, an antiparkinsonian. |
Molecular Weight: | 359.33 |
Molecular Formula: | C18H17NO7 |
Canonical SMILES: | C1OC2=C(O1)C=C(C=C2)C(C(C(=O)O)NC(=O)OCC3=CC=CC=C3)O |
InChI: | InChI=1S/C18H17NO7/c20-16(12-6-7-13-14(8-12)26-10-25-13)15(17(21)22)19-18(23)24-9-11-4-2-1-3-5-11/h1-8,15-16,20H,9-10H2,(H,19,23)(H,21,22)/t15-,16+/m0/s1 |
InChI Key: | PHFXRWNRHDASFI-JKSUJKDBSA-N |
Solubility: | Chloroform |
Appearance: | White Solid |
Complexity: | 494 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 359.10050188 |
Formal Charge: | 0 |
Heavy Atom Count: | 26 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 359.10050188 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 114Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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