 Home > Encyclopedia > [1R-[1(2S*,5R*),2beta,5alpha]]-5-(4-Amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylic acid 5-methyl-2-(1-methylethyl)cyclohexyl ester

[1R-[1(2S,5R),2beta,5alpha]]-5-(4-Amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylic acid 5-methyl-2-(1-methylethyl)cyclohexyl ester

[1R-[1(2S*,5R*),2beta,5alpha]]-5-(4-Amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylic acid 5-methyl-2-(1-methylethyl)cyclohexyl ester structure

CAS No:
147126-75-8
Formula:
C18H26FN3O4S
Chemical Name:
[1R-[1(2S*,5R*),2beta,5alpha]]-5-(4-Amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylic acid 5-methyl-2-(1-methylethyl)cyclohexyl ester
Synonyms:
[1R-[1(2S*,5R*),2beta,5alpha]]-5-(4-Amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylic acid 5-methyl-2-(1-methylethyl)cyclohexyl ester;5-(4-amino-5-fluoro-2-oxo-1(2h)-pyrimidinyl)-1,3-oxathiolane-2-carboxylic acid 5-methyl-2-(1-methylethyl)cyclohexyl ester;(2S,5R)-5-Fluoro cytosine-1-yl-[1,3]-oxathiolane-2-carboxylic acid menthyl ester (FCME);(2S,5R)-5-Fluoro cytosine-1-yl-[1,3]-oxathiolane-2-carboxylic acid menthyl ester;(1''R,2''S,5''R)-MENTHYL-(2R-5R)-(4-AMINO-2-OXO-2H-5-FLUORO-PYRIMIDIN-1-YL)-[1,3]OXATHIOLANE;(2S,5R)-5-Fluoro cytosine-1-yl-[1,3]-oxathiolane-2-;(5-methyl-2-propan-2-ylcyclohexyl) 5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-1,3-oxathiolane-2-carboxylate;(1R,2S,5R)-MENTHYL-5(S)-FLUOROCYTOSINE-1-YL-[1,3]-OXATHIOLANE-2R-CARBOXYLATE
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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[1R-[1(2S,5R),2beta,5alpha]]-5-(4-Amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylic acid 5-methyl-2-(1-methylethyl)cyclohexyl ester Basic Attributes

Molecular Weight：

399.48

Exact Mass：

399.16280565

EC Number：

938-073-4

DSSTox ID：

DTXSID60694828

Color/Form：

White to Off-White

Characteristics

PSA：

121.74000

XLogP3：

3.13790

Density：

1.47

Melting Point：

180 - 183°C (dec.)

Boiling Point：

508.5±60.0 °C(Predicted)

Refractive Index：

1.645

PKA：

2.40±0.10(Predicted)

Critical Temperature & Pressure：

Hygroscopic, Refrigerator, under inert atmosphere

Safety Information

Marks：

[1R-[1(2S,5R),2beta,5alpha]]-5-(4-Amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylic acid 5-methyl-2-(1-methylethyl)cyclohexyl ester Use and Manufacturing

Emtricitabine Menthyl Ester is an impurity of Emtricitabine (E525000). Emtricitabine is a reverse transcriptase inhibitor. It is an effective antiviral agent against HIV, HBV, and other viruses replicating in a similar manner. A nucleoside analog structurally related to Lamivudine (L172500).

Computed Properties

Molecular Weight:399.5
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:399.16280565
Monoisotopic Mass:399.16280565
Topological Polar Surface Area:120
Heavy Atom Count:27
Complexity:669
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 147126-75-8

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5-(4-Amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylic acid 5-methyl-2-(1-methylethyl)cyclohexyl ester

CAS No.: 147126-75-8

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[1R-[1(2S*,5R*),2beta,5alpha]]-5-(4-Amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylic acid 5-methyl-2-(1-methylethyl)cyclohexyl est

CAS No.: 147126-75-8

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Content: 99%

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