Prost-13-en-1-oic acid,9,11,15-trihydroxy-6-oxo-, (9α,11α,13E,15S)- supplier

Name
6-KETO-PROSTAGLANDIN F1ALPHA
EINECS
CAS No. 58962-34-8
Article Data1
CAS DataBase
Density 1.191 g/cm³
Solubility ethanol: 10 mg/mL, clear, faintly yellow
Melting Point
Formula C₂₀H₃₄O₆
Boiling Point 575.3 °C at 760 mmHg
Molecular Weight 370.486
Flash Point 315.8 °C
Transport Information
Appearance
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (9α,11α,13E,15S)-9,11,15-Trihydroxy-6-oxoprost-13-en-1-oic acid;(13E,15S)-9α,11α,15-Trihydroxy-6-oxoprost-13-en-1-oic acid;6 Ketoprostaglandin F1 α;6-Oxo-PGF1α;6-Oxoprostaglandin F1α;
PSA 115.06000
LogP 2.44590

Prost-13-en-1-oic acid,9,11,15-trihydroxy-6-oxo-, (9α,11α,13E,15S)- Specification

The Prost-13-en-1-oic acid,9,11,15-trihydroxy-6-oxo-, (9α,11α,13E,15S)-, with the CAS registry number 58962-34-8, is also known as (9α,11α,13E,15S)-9,11,15-Trihydroxy-6-oxoprost-13-en-1-oic acid. This chemical's molecular formula is C₂₀H₃₄O₆ and molecular weight is 370.48. What's more, its IUPAC name is 7-[3,5-dihydroxy-2-(3-hydroxyoct-1-enyl)cyclopentyl]-6-oxoheptanoic acid. When you are using this chemical, please be cautious about it. Do not breathe dust and avoid contact with skin and eyes.

Physical properties of Prost-13-en-1-oic acid,9,11,15-trihydroxy-6-oxo-, (9α,11α,13E,15S)- are: (1)ACD/LogP: 0.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.06; (4)ACD/LogD (pH 7.4): -1.74; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 10.23; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 71.06 Å²; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 100.72 cm³; (15)Molar Volume: 310.8 cm³; (16)Polarizability: 39.93×10^-24cm³; (17)Surface Tension: 50.6 dyne/cm; (18)Density: 1.191 g/cm³; (19)Flash Point: 315.8 °C; (20)Enthalpy of Vaporization: 98.96 kJ/mol; (21)Boiling Point: 575.3 °C at 760 mmHg; (22)Vapour Pressure: 1.25E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCCCC(=O)C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCCCC
(2)Std. InChI: InChI=1S/C20H34O6/c1-2-3-4-7-14(21)10-11-16-17(19(24)13-18(16)23)12-15(22)8-5-6-9-20(25)26/h10-11,14,16-19,21,23-24H,2-9,12-13H2,1H3,(H,25,26)/b11-10+/t14-,16+,17+,18+,19-/m0/s1
(3)Std. InChIKey: KFGOFTHODYBSGM-ZUNNJUQCSA-N

Product Name

6-KETO-PROSTAGLANDIN F1ALPHA

Prost-13-en-1-oic acid,9,11,15-trihydroxy-6-oxo-, (9α,11α,13E,15S)- Specification

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