Docosapentaenoic acid supplier

Name
(2E,4E,6E,8E,10E)-docosa-2,4,6,8,10-pentaenoic acid
EINECS
CAS No. 25448-00-4
Density 0.932 g/cm³
Solubility
Melting Point
Formula C₂₂H₃₄O₂
Boiling Point 492.8 °C at 760 mmHg
Molecular Weight 330.504
Flash Point 375.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Docosapentaenoic acid (VAN);(2E,4E,6E,8E,10E)-Docosa-2,4,6,8,10-pentaenoic acid;Docosapentaenoate;
PSA
LogP

Docosapentaenoic acid Specification

The Docosapentaenoic acid, with the CAS registry number 25448-00-4, is also known as Docosapentaenoate. This chemical's molecular formula is C₂₂H₃₄O₂ and molecular weight is 330.504. What's more, its IUPAC name is (2E,4E,6E,8E,10E)-docosa-2,4,6,8,10-pentaenoic acid.

Physical properties of Docosapentaenoic acid are: (1)ACD/LogP: 8.29; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.08; (4)ACD/LogD (pH 7.4): 5.29; (5)ACD/BCF (pH 5.5): 71731.28; (6)ACD/BCF (pH 7.4): 1167.92; (7)ACD/KOC (pH 5.5): 46919.03; (8)ACD/KOC (pH 7.4): 763.93; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.509; (14)Molar Refractivity: 105.82 cm³; (15)Molar Volume: 354.3 cm³; (16)Polarizability: 41.95×10^-24cm³; (17)Surface Tension: 35.5 dyne/cm; (18)Density: 0.932 g/cm³; (19)Flash Point: 375.5 °C; (20)Enthalpy of Vaporization: 83.2 kJ/mol; (21)Boiling Point: 492.8 °C at 760 mmHg; (22)Vapour Pressure: 4.66E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCC=CC=CC=CC=CC=CC(=O)O
(2)Isomeric SMILES: CCCCCCCCCCC/C=C/C=C/C=C/C=C/C=C/C(=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/h12-21H,2-11H2,1H3,(H,23,24)/b13-12+,15-14+,17-16+,19-18+,21-20+
(4)InChIKey: YEKFYCQGYMVFKR-MBFZXKRTSA-N

Product Name

(2E,4E,6E,8E,10E)-docosa-2,4,6,8,10-pentaenoic acid

Docosapentaenoic acid Specification

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