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| CAS No.: | 59619-81-7 |
|---|---|
| Name: | Etiproston |
| Molecular Structure: | |
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| Formula: | C24H32O7 |
| Molecular Weight: | 432.51 |
| Synonyms: | 5-Heptenoicacid, 7-[3,5-dihydroxy-2-[2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]ethenyl]cyclopentyl]-,[1R-[1a(Z),2b(E),3a,5a]]-;Etiproston; |
| Density: | 1.298 g/cm3 |
| Boiling Point: | 598.101 °C at 760 mmHg |
| Flash Point: | 200.155 °C |
| PSA: | 105.45000 |
| LogP: | 2.92380 |
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Specification
The Etiproston with its cas register number is 59619-81-7. It also can be called as (5Z)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(1E)-2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]ethenyl]cyclopentyl]-5-heptenoic acid and the IUPAC Name about this chemical is (Z)-7-[(2R)-3,5-dihydroxy-2-[(E)-2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]ethenyl]cyclopentyl]hept-5-enoic acid. Classification Code about this chemical is Reproductive Effect.
Physical properties about Etiproston are: (1)ACD/LogP: 1.66; (2)ACD/LogD (pH 5.5): 0.85; (3)ACD/BCF (pH 5.5): 1.65; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 29.27; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 7; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 13; (10)Polar Surface Area: 105.45Å2; (11)Index of Refraction: 1.633; (12)Molar Refractivity: 119.1 cm3; (13)Molar Volume: 333.3 cm3; (14)Polarizability: 47.21x10-24cm3; (15)Surface Tension: 58.7 dyne/cm; (16)Enthalpy of Vaporization: 93.67 kJ/mol; (17)Vapour Pressure: 3.74E-15 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)CCC\C=C/C[C@@H]3[C@@H](/C=C/C1(OCCO1)COc2ccccc2)[C@H](O)CC3O
(2)InChI: InChI=1/C24H32O7/c25-21-16-22(26)20(19(21)10-6-1-2-7-11-23(27)28)12-13-24(30-14-15-31-24)17-29-18-8-4-3-5-9-18/h1,3-6,8-9,12-13,19-22,25-26H,2,7,10-11,14-17H2,(H,27,28)/b6-1-,13-12+/t19-,20-,21?,22-/m1/s1
(3)InChIKey: BPALXSWPHQNCAA-UPQFXQFRBI
(4)Std. InChI: InChI=1S/C24H32O7/c25-21-16-22(26)20(19(21)10-6-1-2-7-11-23(27)28)12-13-24(30-14-15-31-24)17-29-18-8-4-3-5-9-18/h1,3-6,8-9,12-13,19-22,25-26H,2,7,10-11,14-17H2,(H,27,28)/b6-1-,13-12+/t19-,20-,21?,22-/m1/s1
(5)Std. InChIKey: BPALXSWPHQNCAA-UPQFXQFRSA-N