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17-Octadecynoic acid

17-Octadecynoic acid structure

CAS No:
34450-18-5
Formula:
C18H32O2
Chemical Name:
17-Octadecynoic acid
Synonyms:
17-Octadecynoic acid
Categories:
Analytical Chemistry > Food Safety

Description

Alkynyl Stearic Acid is an alkyl chain-based PROTAC linker that can be used in the synthesis of PROTACs[1].

Octadec-17-ynoic acid is an acetylenic fatty acid that is octadecanoi acid (stearic acid) which has been doubly dehydrogenated at positions 17 and 18 to give the corresponding alkynoic acid. It has a role as a P450 inhibitor, an EC 1.14.14.94 (leukotriene-B4 20-monooxygenase) inhibitor and an EC 1.14.15.3 (alkane 1-monooxygenase) inhibitor. It is a long-chain fatty acid, an acetylenic fatty acid, a terminal acetylenic compound and a monounsaturated fatty acid.

17-Octadecynoic acid Basic Attributes

Molecular Weight：

280.45

Exact Mass：

280.45

DSSTox ID：

DTXSID50188024

HScode：

2916190090

Characteristics

PSA：

37.3

XLogP3：

6.86

Density：

0.9±0.1 g/cm3

Melting Point：

142-148 °C(lit.)

Boiling Point：

400.8±18.0 °C at 760 mmHg

Flash Point：

194.7±15.9 °C

Refractive Index：

1.470

Storage Conditions：

Store at RT

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

Drug Information

MeSH Entry Terms：

17-octadecynoic acid

17-Octadecynoic acid Use and Manufacturing

Use Classification：

Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]

Computed Properties

Molecular Weight:280.4
XLogP3:7.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:15
Exact Mass:280.240230259
Monoisotopic Mass:280.240230259
Topological Polar Surface Area:37.3
Heavy Atom Count:20
Complexity:262
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes