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2070009-25-3
Catalog No.:AA01EQ13

2070009-25-3 | isopropyl((S)-(((2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro-3-hydroxy-4-(methyl-13C-d3)tetrahydrofuran-2-yl)methoxy)(phenoxy)phosphoryl)-L-alaninate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥99% deuterated forms (d1-d3)
in stock  
$652.00   $456.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Download SDS
Technical Information
Catalog Number:
AA01EQ13
Chemical Name:
isopropyl((S)-(((2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro-3-hydroxy-4-(methyl-13C-d3)tetrahydrofuran-2-yl)methoxy)(phenoxy)phosphoryl)-L-alaninate
CAS Number:
2070009-25-3
Molecular Formula:
C22H26D3FN3O9P
Molecular Weight:
533.4637
SMILES:
CC(OC(=O)[C@@H](N[P@@](=O)(Oc1ccccc1)OC[C@H]1O[C@H]([C@@]([C@@H]1O)(F)[13C]([2H])([2H])[2H])n1ccc(=O)[nH]c1=O)C)C
Properties
Computed Properties
 
Complexity:
872  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
4  
Rotatable Bond Count:
11  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.8  

Literature
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SDS
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Tags:2070009-25-3 Molecular Formula|2070009-25-3 MDL|2070009-25-3 SMILES|2070009-25-3 isopropyl((S)-(((2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro-3-hydroxy-4-(methyl-13C-d3)tetrahydrofuran-2-yl)methoxy)(phenoxy)phosphoryl)-L-alaninate
Catalog No.: AA01EQ13
2070009-25-3
2070009-25-3 | isopropyl((S)-(((2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro-3-hydroxy-4-(methyl-13C-d3)tetrahydrofuran-2-yl)methoxy)(phenoxy)phosphoryl)-L-alaninate
Pack Size： 1mg
Purity： ≥99% deuterated forms (d1-d3)
in stock
$652.00 $456.00
Quantity
- +
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Technical Information
Catalog Number: AA01EQ13
Chemical Name: isopropyl((S)-(((2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro-3-hydroxy-4-(methyl-13C-d3)tetrahydrofuran-2-yl)methoxy)(phenoxy)phosphoryl)-L-alaninate
CAS Number: 2070009-25-3
Molecular Formula: C22H26D3FN3O9P
Molecular Weight: 533.4637
SMILES: CC(OC(=O)[C@@H](N[P@@](=O)(Oc1ccccc1)OC[C@H]1O[C@H]([C@@]([C@@H]1O)(F)[13C]([2H])([2H])[2H])n1ccc(=O)[nH]c1=O)C)C
Properties
Complexity: 872  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 5  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 36  
Hydrogen Bond Acceptor Count: 11  
Hydrogen Bond Donor Count: 3  
Isotope Atom Count: 4  
Rotatable Bond Count: 11  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.8  
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