Methyl (2R,3S)-2-Benzylamino-3-hydroxy-2-hydroxymethyl-4-methylpentanoate - CAS 145451-91-8
Catalog: |
BB075918 |
Product Name: |
Methyl (2R,3S)-2-Benzylamino-3-hydroxy-2-hydroxymethyl-4-methylpentanoate |
CAS: |
145451-91-8 |
Synonyms: |
(3S)-3-Hydroxy-2-(hydroxymethyl)-N-(phenylmethyl)-D-leucine Methyl Ester |
IUPAC Name: | methyl (3S)-2-(benzylamino)-3-hydroxy-2-(hydroxymethyl)-4-methylpentanoate |
Description: | Methyl (2R,3S)-2-Benzylamino-3-hydroxy-2-hydroxymethyl-4-methylpentanoate (cas# 145451-91-8) is a compound useful in organic synthesis. |
Molecular Weight: | 281.35 |
Molecular Formula: | C15H23NO4 |
Canonical SMILES: | CC(C)C(C(CO)(C(=O)OC)NCC1=CC=CC=C1)O |
InChI: | InChI=1S/C15H23NO4/c1-11(2)13(18)15(10-17,14(19)20-3)16-9-12-7-5-4-6-8-12/h4-8,11,13,16-18H,9-10H2,1-3H3/t13-,15?/m0/s1 |
InChI Key: | YVDOZNHDZMCBLR-CFMCSPIPSA-N |
Melting Point: | 66-67°C |
Solubility: | Acetone, Dichloromethane, Ethyl Acetate, Methanol |
Appearance: | White Powder |
Complexity: | 302 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 281.16270821 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 281.16270821 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 78.8Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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