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Name
Phosphonium, [[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]me
- EINECS 1806241-263-5
- CAS No. 885477-83-8
- Density
- Solubility
- Melting Point
- Formula C34H34BrFN3O2PS
- Boiling Point
- Molecular Weight 678.59
- Flash Point
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms Phosphonium,[[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]methyl]triphenyl-,bromide (9CI);
- PSA 85.13000
- LogP 4.38080
[[4-(4-Fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]methyl]triphenylphosphonium bromide Specification
The CAS register number of [[4-(4-Fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]methyl]triphenylphosphonium bromide is 885477-83-8. It also can be called as Phosphonium,[[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]methyl]triphenyl-,bromide (1:1) and the systematic name about this chemical is {[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-yl)pyrimidin-5-yl]methyl}(triphenyl)phosphonium bromide. The molecular formula about this chemical is C34H34BrFN3O2PS and molecular weight is 678.59. It belongs to the following product categories which include Rosuvastatin Calcium and its Intermediates; Rosuvastatin Intermediates and so on.
Physical properties about [[4-(4-Fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]methyl]triphenylphosphonium bromide are: (1)#H bond acceptors: 5; (2)#Freely Rotating Bonds: 9; (3)Polar Surface Area: 71.54Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: [Br-].O=S(=O)(N(c1nc(c(c(n1)C(C)C)C[P+](c2ccccc2)(c3ccccc3)c4ccccc4)c5ccc(F)cc5)C)C
(2)InChI: InChI=1/C34H34FN3O2PS.BrH/c1-25(2)32-31(33(26-20-22-27(35)23-21-26)37-34(36-32)38(3)42(4,39)40)24-41(28-14-8-5-9-15-28,29-16-10-6-11-17-29)30-18-12-7-13-19-30;/h5-23,25H,24H2,1-4H3;1H/q+1;/p-1
(3)InChIKey: GGEHQGAHLWFTET-REWHXWOFAL
(4)Std. InChI: InChI=1S/C34H34FN3O2PS.BrH/c1-25(2)32-31(33(26-20-22-27(35)23-21-26)37-34(36-32)38(3)42(4,39)40)24-41(28-14-8-5-9-15-28,29-16-10-6-11-17-29)30-18-12-7-13-19-30;/h5-23,25H,24H2,1-4H3;1H/q+1;/p-1
(5)Std. InChIKey: GGEHQGAHLWFTET-UHFFFAOYSA-M
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