Home Aminos (1S,2S,3R,5S)-3-(7-(((1R)-2-(3,4-Difluorophenyl)cyclopropyl)amino)-5-(propylthio)-3h-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-(2-hydroxyethoxy)cyclopentane-1,2-diol

(1S,2S,3R,5S)-3-(7-(((1R)-2-(3,4-Difluorophenyl)cyclopropyl)amino)-5-(propylthio)-3h-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-(2-hydroxyethoxy)cyclopentane-1,2-diol

CAS No.:
274693-27-5
Catalog Number:
AG00I57D
Molecular Formula:
C23H28F2N6O4S
Molecular Weight:
522.5680
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%(HPLC)
In Stock USA
United States
$73
- +
25mg
99%(HPLC)
In Stock USA
United States
$150
- +
100mg
99%(HPLC)
In Stock USA
United States
$362
- +
Product Description
Catalog Number:
AG00I57D
Chemical Name:
(1S,2S,3R,5S)-3-(7-(((1R)-2-(3,4-Difluorophenyl)cyclopropyl)amino)-5-(propylthio)-3h-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
CAS Number:
274693-27-5
Molecular Formula:
C23H28F2N6O4S
Molecular Weight:
522.5680
MDL Number:
MFCD09038738
IUPAC Name:
(1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
InChI:
InChI=1S/C23H28F2N6O4S/c1-2-7-36-23-27-21(26-15-9-12(15)11-3-4-13(24)14(25)8-11)18-22(28-23)31(30-29-18)16-10-17(35-6-5-32)20(34)19(16)33/h3-4,8,12,15-17,19-20,32-34H,2,5-7,9-10H2,1H3,(H,26,27,28)/t12-,15+,16+,17-,19-,20+/m0/s1
InChI Key:
OEKWJQXRCDYSHL-FNOIDJSQSA-N
SMILES:
CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO
UNII:
GLH0314RVC
Properties
Complexity:
736  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
6  
Defined Bond Stereocenter Count:
0
Exact Mass:
522.186g/mol
Formal Charge:
0
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
522.572g/mol
Monoisotopic Mass:
522.186g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
164A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
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