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72651-38-8 | L-Proline, 1-[[hydroxy(3-phenylpropyl)phosphinyl]acetyl]-
CAS No: 72651-38-8 Catalog No: AG005FO1 MDL No:
Product Description
Catalog Number:
AG005FO1
Chemical Name:
L-Proline, 1-[[hydroxy(3-phenylpropyl)phosphinyl]acetyl]-
CAS Number:
72651-38-8
Molecular Formula:
C16H22NO5P
Molecular Weight:
339.3233
IUPAC Name:
(2S)-1-[2-[hydroxy(3-phenylpropyl)phosphoryl]acetyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C16H22NO5P/c18-15(17-10-4-9-14(17)16(19)20)12-23(21,22)11-5-8-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H,19,20)(H,21,22)/t14-/m0/s1
InChI Key:
XKBINWZRKCZWJD-AWEZNQCLSA-N
SMILES:
OC(=O)[C@@H]1CCCN1C(=O)CP(=O)(CCCc1ccccc1)O
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
339.124g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
339.328g/mol
Monoisotopic Mass:
339.124g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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