CAS 46032-98-8 | (1R,2R)-2-Amino-1-phenylpropane-1,3-diol | CAS Number 46032-98-8

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46032-98-8 | (1R,2R)-2-Amino-1-phenylpropane-1,3-diol

CAS No: 46032-98-8 Catalog No: AG003BGH MDL No:MFCD00069617

Product Description

Catalog Number:

AG003BGH

Chemical Name:

(1R,2R)-2-Amino-1-phenylpropane-1,3-diol

CAS Number:

46032-98-8

Molecular Formula:

C9H13NO2

Molecular Weight:

167.2050

MDL Number:

MFCD00069617

IUPAC Name:

(1R,2R)-2-amino-1-phenylpropane-1,3-diol

InChI:

InChI=1S/C9H13NO2/c10-8(6-11)9(12)7-4-2-1-3-5-7/h1-5,8-9,11-12H,6,10H2/t8-,9-/m1/s1

InChI Key:

JUCGVCVPNPBJIG-RKDXNWHRSA-N

SMILES:

OC[C@H]([C@@H](c1ccccc1)O)N

EC Number:

256-250-8

UNII:

7Q33891T0E

Properties

Complexity:

124

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

167.095g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

167.208g/mol

Monoisotopic Mass:

167.095g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.2

Literature

Title	Journal
Synthesis of a fluorine-substituted puromycin derivative for Brønsted studies of ribosomal-catalyzed peptide bond formation.	The Journal of organic chemistry 20090320
Bile acid amides derived from chiral amino alcohols: novel antimicrobials and antifungals.	Bioorganic & medicinal chemistry letters 20040209