CAS 64090-98-8 | H-3-Pal-OH | CAS Number 64090-98-8

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64090-98-8 | H-3-Pal-OH

CAS No: 64090-98-8 Catalog No: AG003CKT MDL No:MFCD00079676

Product Description

Catalog Number:

AG003CKT

Chemical Name:

H-3-Pal-OH

CAS Number:

64090-98-8

Molecular Formula:

C8H10N2O2

Molecular Weight:

166.1772

MDL Number:

MFCD00079676

IUPAC Name:

(2S)-2-amino-3-pyridin-3-ylpropanoic acid

InChI:

InChI=1S/C8H10N2O2/c9-7(8(11)12)4-6-2-1-3-10-5-6/h1-3,5,7H,4,9H2,(H,11,12)/t7-/m0/s1

InChI Key:

DFZVZEMNPGABKO-ZETCQYMHSA-N

SMILES:

OC(=O)[C@H](Cc1cccnc1)N

UNII:

5HW88A35AQ

Properties

Complexity:

161

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

166.074g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

166.18g/mol

Monoisotopic Mass:

166.074g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

76.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-2.5

Literature

Title	Journal
Identification and characterization of the pyridomycin biosynthetic gene cluster of Streptomyces pyridomyceticus NRRL B-2517.	The Journal of biological chemistry 20110610
Concise formal synthesis of porothramycins A and B via Zincke pyridinium ring-opening/ring-closing cascade.	Organic letters 20100702
Gonadotropin-releasing hormone type II antagonist induces apoptosis in MCF-7 and triple-negative MDA-MB-231 human breast cancer cells in vitro and in vivo.	Breast cancer research : BCR 20100101