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CAS No.: | 35850-13-6 |
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Name: | 15-KETO PROSTAGLANDIN F2ALPHA |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C20H32O5 |
Molecular Weight: | 352.471 |
Synonyms: | 15-DehydroprostaglandinF2a;15-Keto PGF2a;15-Keto-PGF2a;15-Ketodinoprost;15-Ketoprostaglandin F2a;15-Oxo-PGF2a;15-Oxoprostaglandin F2a;9a,11a-Dihydroxy-15-keto-prosta-5-cis-13-trans-dienoic acid; |
Density: | 1.149 g/cm3 |
Boiling Point: | 535.2 °C at 760 mmHg |
Flash Point: | 291.5 °C |
PSA: | 94.83000 |
LogP: | 3.25110 |
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The Prosta-5,13-dien-1-oicacid, 9,11-dihydroxy-15-oxo-, (5Z,9a,11a,13E)-, with the CAS registry number 35850-13-6, has the systematic name of (5Z,9alpha,11alpha,13E)-9,11-dihydroxy-15-oxoprosta-5,13-dien-1-oic acid. And the molecular formula of the chemical is C20H32O5. What's more, it should be stored at -20°C.
The characteristics of Prosta-5,13-dien-1-oicacid, 9,11-dihydroxy-15-oxo-, (5Z,9a,11a,13E)- are as followings: (1)ACD/LogP: 1.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.02; (4)ACD/LogD (pH 7.4): -0.77; (5)ACD/BCF (pH 5.5): 2.25; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 36.58; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 61.83 Å2; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 99.29 cm3; (15)Molar Volume: 306.5 cm3; (16)Polarizability: 39.36×10-24cm3; (17)Surface Tension: 46.9 dyne/cm; (18)Density: 1.149 g/cm3; (19)Flash Point: 291.5 °C; (20)Enthalpy of Vaporization: 93.34 kJ/mol; (21)Boiling Point: 535.2 °C at 760 mmHg; (22)Vapour Pressure: 1.1E-13 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\C(=O)CCCCC
(2)InChI: InChI=1/C20H32O5/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/h4,7,12-13,16-19,22-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t16-,17-,18+,19-/m1/s1
(3)InChIKey: LOLJEILMPWPILA-AMFHKTBMBP