CAS No.913258-34-1,trans Latanoprost Suppliers

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Basic Information

Molecular Structure:
CAS No.:	913258-34-1
Name:	trans Latanoprost
Article Data:	50

Formula:	C₂₆H₄₀O₅
Molecular Weight:	432.601
Synonyms:	(5E)-Latanoprost;5,6-trans-Latanoprost;
Density:	1.093 g/cm³
Boiling Point:	583.8 °C at 760 mmHg
Flash Point:	188.3 °C
PSA:	86.99000
LogP:	4.18640

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Specification

The 5-Heptenoicacid,7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]-,1-methylethyl ester, (5E)-, with CAS registry number 913258-34-1, belongs to the following product categories: (1)Intermediates & Fine Chemicals; (2)Pharmaceuticals. It has the systematic name of 1-methylethyl (5E)-7-{(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl}hept-5-enoate. And the chemical formula of this chemical is C₂₆H₄₀O₅.

Physical properties of 5-Heptenoicacid,7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]-,1-methylethyl ester, (5E)-: (1)ACD/LogP: 3.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.65; (4)ACD/LogD (pH 7.4): 3.65; (5)ACD/BCF (pH 5.5): 352.42; (6)ACD/BCF (pH 7.4): 352.42; (7)ACD/KOC (pH 5.5): 2316.29; (8)ACD/KOC (pH 7.4): 2316.29; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 17; (12)Polar Surface Area: 53.99 Å²; (13)Index of Refraction: 1.537; (14)Molar Refractivity: 123.62 cm³; (15)Molar Volume: 395.4 cm³; (16)Polarizability: 49×10^-24cm³; (17)Surface Tension: 43.4 dyne/cm; (18)Density: 1.093 g/cm³; (19)Flash Point: 188.3 °C; (20)Enthalpy of Vaporization: 91.78 kJ/mol; (21)Boiling Point: 583.8 °C at 760 mmHg; (22)Vapour Pressure: 1.79E-14 mmHg at 25°C.

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+/m0/s1
(3)InChIKey: GGXICVAJURFBLW-RDSJPUOVBC
(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+/m0/s1
(5)Std. InChIKey: GGXICVAJURFBLW-RDSJPUOVSA-N