The Prostacyclin sodium salt, with the CAS registry number 61849-14-7 and EINECS registry number 234-237-8, has the systematic name of sodium (5Z,9α,11α,13E,15S)-11,15-dihydroxy-6,9-epoxyprosta-5,13-dien-1-oate. It is a kind of white crystalline powder. And the molecular formula of the chemical is C20H31O5.Na.
The characteristics of Prostacyclin sodium salt are as followings: (1)ACD/LogP: 2.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.22; (4)ACD/LogD (pH 7.4): -0.58; (5)ACD/BCF (pH 5.5): 3.07; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 44.16; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 64.99 Å2; (13)Flash Point: 182.1 °C; (14)Enthalpy of Vaporization: 92.66 kJ/mol; (15)Boiling Point: 530.2 °C at 760 mmHg; (16)Vapour Pressure: 1.86E-13 mmHg at 25°C.
You should be cautious while dealing with this chemical. It is harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing; Do not breathe dust; In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Na+].[O-]C(=O)CCC/C=C1\O[C@H]2C[C@@H](O)[C@H](/C=C/[C@@H](O)CCCCC)[C@H]2C1
(2)InChI: InChI=1/C20H32O5.Na/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22;/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24);/q;+1/p-1/b11-10+,15-8-;/t14-,16+,17+,18+,19-;/m0./s1
(3)InChIKey: LMHIPJMTZHDKEW-TZBXGZQCBN
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View