(3R,5S)-1-Cbz-5-(hydroxymethyl)-3-pyrrolidinol - CAS 95687-41-5
Catalog: |
BB041806 |
Product Name: |
(3R,5S)-1-Cbz-5-(hydroxymethyl)-3-pyrrolidinol |
CAS: |
95687-41-5 |
Synonyms: |
(2S,4R)-4-hydroxy-2-(hydroxymethyl)-1-pyrrolidinecarboxylic acid (phenylmethyl) ester; benzyl (2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate |
IUPAC Name: | benzyl (2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate |
Description: | (3R,5S)-1-Cbz-5-(hydroxymethyl)-3-pyrrolidinol (CAS# 95687-41-5) is a useful research chemical. |
Molecular Weight: | 251.28 |
Molecular Formula: | C13H17NO4 |
Canonical SMILES: | C1C(CN(C1CO)C(=O)OCC2=CC=CC=C2)O |
InChI: | InChI=1S/C13H17NO4/c15-8-11-6-12(16)7-14(11)13(17)18-9-10-4-2-1-3-5-10/h1-5,11-12,15-16H,6-9H2/t11-,12+/m0/s1 |
InChI Key: | WDEQGLDWZMIMJM-NWDGAFQWSA-N |
Boiling Point: | 433.9 °C at 760 mmHg |
Density: | 1.297 g/cm3 |
Appearance: | Viscous liquid |
MDL: | MFCD03427085 |
LogP: | 0.68860 |
Publication Number | Title | Priority Date |
EP-3608406-A1 | Compositions and methods for modulating complement factor b expression | 20140501 |
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Complexity: | 278 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 251.11575802 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 251.11575802 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 70 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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