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(2S,5R)-(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 5-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolane-2-carboxylate - 95%, high purity , CAS No.147126-75-8

COA

Grade & Purity:

≥95%

Cas Number: 147126-75-8
Molecular Weight: 399.48
PubChem CID: 53401165

In stock

Item Number

S191000

Grouped product items
SKU	Size	Availability	Price	Qty
S191000-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$51.90
S191000-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$91.90

Discover (2S,5R)-(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 5-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolane-2-carboxylate by Aladdin Scientific in 95% for only $51.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	147126-75-8 \| 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)-(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 5-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolane-2-carboxyl
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Nucleosides, nucleotides, and analogues
  - Class Nucleoside and nucleotide analogues

Kingdom	Organic compounds
Superclass	Nucleosides, nucleotides, and analogues
Class	Nucleoside and nucleotide analogues
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Nucleoside and nucleotide analogues
Alternative Parents	Menthane monoterpenoids Monocyclic monoterpenoids Aromatic monoterpenoids Halopyrimidines Pyrimidones Aminopyrimidines and derivatives Aryl fluorides Imidolactams Hydropyrimidines Monothioacetals Oxathiolanes Heteroaromatic compounds Amino acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organopnictogen compounds Primary amines
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Monoterpenoid - Aromatic monoterpenoid - Monocyclic monoterpenoid - P-menthane monoterpenoid - Aminopyrimidine - Pyrimidone - Halopyrimidine - Aryl fluoride - Pyrimidine - Aryl halide - Imidolactam - Hydropyrimidine - Oxathiolane - Heteroaromatic compound - Monothioacetal - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organofluoride - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as nucleoside and nucleotide analogues. These are analogues of nucleosides and nucleotides. These include phosphonated nucleosides, C-glycosylated nucleoside bases, analogues where the sugar unit is a pyranose, and carbocyclic nucleosides, among others.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	(5-methyl-2-propan-2-ylcyclohexyl) 5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-1,3-oxathiolane-2-carboxylate
INCHI	InChI=1S/C18H26FN3O4S/c1-9(2)11-5-4-10(3)6-13(11)25-16(23)17-26-14(8-27-17)22-7-12(19)15(20)21-18(22)24/h7,9-11,13-14,17H,4-6,8H2,1-3H3,(H2,20,21,24)
InChIKey	AUTCQXVTOIJYOT-UHFFFAOYSA-N
Smiles	CC1CCC(C(C1)OC(=O)C2OC(CS2)N3C=C(C(=NC3=O)N)F)C(C)C
Isomeric SMILES	CC1CCC(C(C1)OC(=O)C2OC(CS2)N3C=C(C(=NC3=O)N)F)C(C)C
Molecular Weight	399.48
Reaxy-Rn	51895650
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=51895650&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	399.500 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	399.163 Da
Monoisotopic Mass	399.163 Da
Topological Polar Surface Area	120.000 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	669.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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