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26441-05-4

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Basic Information
CAS No.: 26441-05-4
Name: 15-KETO PROSTAGLANDIN E2
Article Data: 4
Molecular Structure:
Molecular Structure of 26441-05-4 (15-KETO PROSTAGLANDIN E2)
Formula: C20H30O5
Molecular Weight: 350.455
Synonyms: 15-Keto PGE2;15-Dehydroprostaglandin E2;15-Oxo-PGE2;15-Oxoprostaglandin E2;15-keto-PGE2;15-keto-Prostaglandin E2;15-Ketoprostaglandin E2;5-Heptenoicacid, 7-[3-hydroxy-5-oxo-2-(3-oxo-1-octenyl)cyclopentyl]-, stereoisomer (8CI);
Density: 1.144 g/cm3
Boiling Point: 534.4 °C at 760 mmHg
Flash Point: 291 °C
PSA: 91.67000
LogP: 3.45930
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  • 26441-05-4 CAS No.26441-05-4

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Specification

The CAS register number of Prosta-5,13-dien-1-oicacid, 11-hydroxy-9,15-dioxo-, (5Z,11a,13E)- is 26441-05-4. It also can be called as 15-Oxoprostaglandin E2 and the IUPAC name about this chemical is (Z)-7-[(1R,2R,3R)-3-hydroxy-5-oxo-2-[(E)-3-oxooct-1-enyl]cyclopentyl]hept-5-enoic acid. The molecular formula about this chemical is C20H30O5 and the molecular weight is 350.45. The storage temperature of this chemical is -20 °C.

Physical properties about Prosta-5,13-dien-1-oicacid, 11-hydroxy-9,15-dioxo-, (5Z,11a,13E)- are: (1)ACD/LogP: 1.74; (2)ACD/LogD (pH 5.5): 0.92; (3)ACD/LogD (pH 7.4): -0.88; (4)ACD/BCF (pH 5.5): 1.88; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 31.95; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 13; (11)Polar Surface Area: 69.67 Å2; (12)Index of Refraction: 1.552; (13)Molar Refractivity: 97.83 cm3; (14)Molar Volume: 306 cm3; (15)Polarizability: 38.78x10-24cm3; (16)Surface Tension: 51.5 dyne/cm; (17)Density: 1.144 g/cm3; (18)Flash Point: 291 °C; (19)Enthalpy of Vaporization: 93.23 kJ/mol; (20)Boiling Point: 534.4 °C at 760 mmHg; (21)Vapour Pressure: 1.19E-13 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1C[C@@H](O)[C@H](\C=C\C(=O)CCCCC)[C@H]1C\C=C/CCCC(=O)O
(2)InChI: InChI=1/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,16-17,19,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t16-,17-,19-/m1/s1
(3)InChIKey: YRTJDWROBKPZNV-KMXMBPPJBN
(4)Std. InChI: InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,16-17,19,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t16-,17-,19-/m1/s1
(5)Std. InChIKey: YRTJDWROBKPZNV-KMXMBPPJSA-N