Name: 15D-PGJ2
SKU: 87893-55-8

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Basic Information

Molecular Structure:
CAS No.:	87893-55-8
Name:	15D-PGJ2
Article Data:	6

Formula:	C₂₀H₂₈O₃
Molecular Weight:	316.441
Synonyms:	15-DPGJ2;15-Deoxy-D12,14-PGJ2;15-Deoxy-D12,14-prostaglandin;15-Deoxy-D12,14-prostaglandin J2;D12,14-15-Deoxy-PGJ2;D12,14-15-Deoxyprostaglandin J2;D12,14-PGJ 2;
EINECS:	201-185-2
Density:	1.066 g/cm³
Boiling Point:	495.8 °C at 760 mmHg
Flash Point:	267.8 °C
Appearance:	Neat Oil
Hazard Symbols:	F,Xi
Risk Codes:	11-36/38-66-67
Safety:	16-26-29-33-36/37/39
Transport Information:	UN 1231
PSA:	54.37000
LogP:	5.00560

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Specification

The Prosta-5,9,12,14-tetraen-1-oicacid, 11-oxo-, (5Z,12E,14E)- is an organic compound with the formula C₂₀H₂₈O₃. The IUPAC name of this chemical is (Z)-7-[(1S,5E)-5-[(E)-oct-2-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid. With the CAS registry number 87893-55-8, it is also named as delta12,14-PGJ 2. Besides, it should be stored in a closed cool and dry place.

Physical properties about Prosta-5,9,12,14-tetraen-1-oicacid, 11-oxo-, (5Z,12E,14E)- are: (1)ACD/LogP: 5.10; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.28; (4)ACD/LogD (pH 7.4): 2.48; (5)ACD/BCF (pH 5.5): 663.91; (6)ACD/BCF (pH 7.4): 10.59; (7)ACD/KOC (pH 5.5): 2129.44; (8)ACD/KOC (pH 7.4): 33.97; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.557; (14)Molar Refractivity: 95.64 cm³; (15)Molar Volume: 296.7 cm³; (16)Polarizability: 37.91×10^-24cm³; (17)Surface Tension: 46.2 dyne/cm; (18)Density: 1.066 g/cm³; (19)Flash Point: 267.8 °C; (20)Enthalpy of Vaporization: 83.59 kJ/mol; (21)Boiling Point: 495.8 °C at 760 mmHg; (22)Vapour Pressure: 3.5E-11 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is highly flammable. Please keep away from sources of ignition - No smoking and take precautionary measures against static discharges. Besides, this chemical is irritating to eyes and skin. The repeated exposure may cause skin dryness or cracking. When you are using it, wear suitable gloves and eye/face protection and do not empty into drains. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C/1/C=C\[C@@H](C\1=C\C=C\CCCCC)C\C=C/CCCC(=O)O
(2)InChI: InChI=1/C20H28O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h6-7,9-10,13,15-17H,2-5,8,11-12,14H2,1H3,(H,22,23)/b9-7-,10-6+,18-13+/t17-/m0/s1
(3)InChIKey: VHRUMKCAEVRUBK-GODQJPCRBM
(4)Std. InChI: InChI=1S/C20H28O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h6-7,9-10,13,15-17H,2-5,8,11-12,14H2,1H3,(H,22,23)/b9-7-,10-6+,18-13+/t17-/m0/s1
(5)Std. InChIKey: VHRUMKCAEVRUBK-GODQJPCRSA-N