CAS No.258516-87-9,FOSPROPOFOL DISODIUM (AQUAVAN) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	258516-87-9
Name:	FOSPROPOFOL DISODIUM (AQUAVAN)

Formula:	C₁₃H₂₁Na₂O₅P
Molecular Weight:	334.24
Synonyms:	Methanol,[2,6-bis(1-methylethyl)phenoxy]-, dihydrogen phosphate, disodium salt (9CI);Aqavan Injection;Aquavan;Fospropofol disodium;GPI 15715;Disodium [2,6-bis(1-methylethyl)phenoxy]methyl phosphate;
Boiling Point:	441.5 °C at 760mmHg
Flash Point:	220.8 °C
PSA:	91.46000
LogP:	4.25540

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Specification

The CAS registry number of Methanol,1-[2,6-bis(1-methylethyl)phenoxy]-, 1-(dihydrogen phosphate), sodium salt (1:2) is 258516-87-9. The IUPAC name is disodium [2,6-di(propan-2-yl)phenoxy]methyl phosphate. In addition, the molecular formula is C₁₃H₂₁Na₂O₅P and the molecular weight is 334.24. It is a kind of Procedural Sedation.

Physical properties about Methanol,1-[2,6-bis(1-methylethyl)phenoxy]-, 1-(dihydrogen phosphate), sodium salt (1:2) are: (1)ACD/LogP: 2.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.71; (4)ACD/LogD (pH 7.4): -1.63; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 85.8 Å²; (13)Flash Point: 220.8 °C; (14)Enthalpy of Vaporization: 73.65 kJ/mol; (15)Boiling Point: 441.5 °C at 760 mmHg; (16)Vapour Pressure: 1.43E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[Na+].[O-]P([O-])(=O)OCOc1c(cccc1C(C)C)C(C)C
(2)InChI: InChI=1/C13H21O5P.2Na/c1-9(2)11-6-5-7-12(10(3)4)13(11)17-8-18-19(14,15)16;;/h5-7,9-10H,8H2,1-4H3,(H2,14,15,16);;/q;2*+1/p-2
(3)InChIKey: LWYLQNWMSGFCOZ-NUQVWONBAW