CAS 24607-05-4 | 16-Heptadecyne-1,2,4-triol | CAS Number 24607-05-4

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24607-05-4 | 16-Heptadecyne-1,2,4-triol

CAS No: 24607-05-4 Catalog No: AG002OR2 MDL No:

Product Description

Catalog Number:

AG002OR2

Chemical Name:

16-Heptadecyne-1,2,4-triol

CAS Number:

24607-05-4

Molecular Formula:

C17H32O3

Molecular Weight:

284.4342

IUPAC Name:

heptadec-16-yne-1,2,4-triol

InChI:

InChI=1S/C17H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)14-17(20)15-18/h1,16-20H,3-15H2

InChI Key:

OHLQBKZXSJYBMK-UHFFFAOYSA-N

SMILES:

C#CCCCCCCCCCCCC(CC(CO)O)O

Properties

Complexity:

244

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

284.235g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

284.44g/mol

Monoisotopic Mass:

284.235g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

60.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.3

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
The phytochemical and pharmacological profile of Persea americana Mill.	Pharmacognosy reviews 20100101