Prosta-5,10-dien-1-oicacid, 9,15-dioxo-, (5Z)- supplier

Name
13,14-DIHYDRO-15-KETO PROSTAGLANDIN A2
EINECS
CAS No. 74872-89-2
Density 1.043 g/cm³
Solubility
Melting Point
Formula C₂₀H₃₀O₄
Boiling Point 510.5 °C at 760 mmHg
Molecular Weight 334.45
Flash Point 276.6 °C
Transport Information
Appearance
Safety 36
Risk Codes 20/21/22
Molecular Structure
Hazard Symbols Xn
Synonyms 13,14-Dihydro-15-oxo-PGA2;13,14-Dihydro-15-oxoprostaglandin A2;PGAM;(5Z)-9,15-dioxoprosta-5,10-dien-1-oic acid;15-Keto-13,14-dihydro-pga2;
PSA 71.44000
LogP 4.48850

Prosta-5,10-dien-1-oicacid, 9,15-dioxo-, (5Z)- Specification

The Prosta-5,10-dien-1-oicacid, 9,15-dioxo-, (5Z)-, with the CAS registry number 74872-89-2, is also known as 15-Keto-13,14-dihydro-pga2. This chemical's molecular formula is C₂₀H₃₀O₄ and molecular weight is 334.45. What's more, its systematic name is (5Z)-9,15-dioxoprosta-5,10-dien-1-oic acid.

Physical properties of Prosta-5,10-dien-1-oicacid, 9,15-dioxo-, (5Z)- are: (1)ACD/LogP: 3.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.28; (4)ACD/LogD (pH 7.4): 0.48; (5)ACD/BCF (pH 5.5): 20.22; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 175.1; (8)ACD/KOC (pH 7.4): 2.79; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 60.44 Å²; (13)Index of Refraction: 1.498; (14)Molar Refractivity: 94.05 cm³; (15)Molar Volume: 320.5 cm³; (16)Polarizability: 37.28×10^-24 cm³; (17)Surface Tension: 39.8 dyne/cm; (18)Density: 1.043 g/cm³; (19)Flash Point: 276.6 °C; (20)Enthalpy of Vaporization: 85.5 kJ/mol; (21)Boiling Point: 510.5 °C at 760 mmHg; (22)Vapour Pressure: 8.47E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(CC[C@H]1/C=C\C(=O)[C@@H]1C\C=C/CCCC(=O)O)CCCCC
(2)InChI: InChI=1/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,13,15-16,18H,2-3,5-6,8-12,14H2,1H3,(H,23,24)/b7-4-/t16-,18+/m0/s1
(3)InChIKey: FMKLAIBZMCURLI-BFVRRIQPBU

Product Name

13,14-DIHYDRO-15-KETO PROSTAGLANDIN A2

Prosta-5,10-dien-1-oicacid, 9,15-dioxo-, (5Z)- Specification

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