The 15(S)-Latanoprost is an organic compound with the formula C26H40O5. The systematic name of this chemical is propan-2-yl (5Z)-7-{(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxy-5-phenylpentyl]cyclopentyl}hept-5-enoate. With the CAS registry number 145773-22-4, it is also named as Isopropyl (5Z)-7-{(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxy-5-phenylpentyl]cyclopentyl}hept-5-enoate.
Physical properties about 15(S)-Latanoprost are: (1)ACD/LogP: 4.28; (2)ACD/LogD (pH 5.5): 4; (3)ACD/LogD (pH 7.4): 4; (4)ACD/BCF (pH 5.5): 352; (5)ACD/BCF (pH 7.4): 352; (6)ACD/KOC (pH 5.5): 2316; (7)ACD/KOC (pH 7.4): 2316; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 17; (11)Polar Surface Area: 86.99 Å2; (12)Index of Refraction: 1.538; (13)Molar Refractivity: 123.627 cm3; (14)Molar Volume: 395.465 cm3; (15)Polarizability: 49.009×10-24cm3; (16)Surface Tension: 43.411 dyne/cm; (17)Density: 1.094 g/cm3; (18)Flash Point: 188.312 °C; (19)Enthalpy of Vaporization: 91.775 kJ/mol; (20)Boiling Point: 583.839 °C at 760 mmHg.
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. Besides, this chemical is irritating to eyes. It repeated exposure may cause skin dryness or cracking. When you are using it, do not empty into drains and take precautionary measures against static discharges. 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(OC(C)C)CCC/C=C\C[C@H]2[C@@H](O)C[C@@H](O)[C@@H]2CC[C@H](O)CCc1ccccc1
(2)InChI: InChI=1/C26H40O5/c1-19(2)31-26(30)13-9-4-3-8-12-22-23(25(29)18-24(22)28)17-16-21(27)15-14-20-10-6-5-7-11-20/h3,5-8,10-11,19,21-25,27-29H,4,9,12-18H2,1-2H3/b8-3-/t21-,22-,23-,24+,25-/m1/s1
(3)InChIKey: GGXICVAJURFBLW-SCTZCWPJBZ
(4)Std. InChI: InChI=1S/C26H40O5/c1-19(2)31-26(30)13-9-4-3-8-12-22-23(25(29)18-24(22)28)17-16-21(27)15-14-20-10-6-5-7-11-20/h3,5-8,10-11,19,21-25,27-29H,4,9,12-18H2,1-2H3/b8-3-/t21-,22-,23-,24+,25-/m1/s1
(5)Std. InChIKey: GGXICVAJURFBLW-SCTZCWPJSA-N
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