CAS No.24880-45-3,CIS-7,10,13,16,19-DOCOSA-PENTAENOIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	24880-45-3
Name:	CIS-7,10,13,16,19-DOCOSA-PENTAENOIC ACID
Article Data:	7

Formula:	C₂₂H₃₄O₂
Molecular Weight:	330.511
Synonyms:	7,10,13,16,19-Docosapentaenoicacid, (all-Z)- (8CI);(all-Z)-7,10,13,16,19-Docosapentaenoic acid;7Z,10Z,13Z,16Z,19Z-Docosapentaenoicacid;7Z,10Z,13Z,16Z,19Z-Docosapentaenoic acid;all-cis-7,10,13,16,19-Docosapentaenoic acid;D7,10,13,16,19-Docosapentaenoic acid;
Density:	0.932 g/cm³
Boiling Point:	442.2 °C at 760 mmHg
Flash Point:	338.9 °C
PSA:	37.30000
LogP:	6.77290

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Specification

The 7,10,13,16,19-Docosapentaenoicacid, (7Z,10Z,13Z,16Z,19Z)-, with the CAS registry number 24880-45-3, is also known as cis-7,10,13,16,19-Docosapentaenoic acid. It belongs to the product categories of Omega 3 fatty acids and Derivatives; Polyunsaturated; Unsaturated Fatty Acids and Derivatives. This chemical's molecular formula is C₂₂H₃₄O₂ and molecular weight is 330.5. Its IUPAC name is called (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoic acid.

Physical properties of 7,10,13,16,19-Docosapentaenoicacid, (7Z,10Z,13Z,16Z,19Z)-: (1)ACD/LogP: 7.27; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.46; (4)ACD/LogD (pH 7.4): 4.66; (5)ACD/BCF (pH 5.5): 30409.3; (6)ACD/BCF (pH 7.4): 486.43; (7)ACD/KOC (pH 5.5): 33170.31; (8)ACD/KOC (pH 7.4): 530.6; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 15; (12)Index of Refraction: 1.509; (13)Molar Refractivity: 105.82 cm³; (14)Molar Volume: 354.3 cm³; (15)Surface Tension: 35.5 dyne/cm; (16)Density: 0.932 g/cm³; (17)Flash Point: 338.9 °C; (18)Enthalpy of Vaporization: 76.7 kJ/mol; (19)Boiling Point: 442.2 °C at 760 mmHg; (20)Vapour Pressure: 4.69E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC=CCC=CCC=CCC=CCC=CCCCCCC(=O)O
(2)Isomeric SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O
(3)InChI: InChI=1S/C22H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-
(4)InChIKey: YUFFSWGQGVEMMI-JLNKQSITSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	> 20gm/kg (20000mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 20, Pg. 801, 1989.
rat	LD50	oral	> 20gm/kg (20000mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 20, Pg. 801, 1989.