Home Other Building Blocks Purvalanol b

Purvalanol b

CAS No.:
212844-54-7
Catalog Number:
AG0039RZ
Molecular Formula:
C20H25ClN6O3
Molecular Weight:
432.9039
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥95%
1 week
United States
$103
- +
5mg
97%
1 week
United States
$160
- +
10mg
97%
1 week
United States
$194
- +
25mg
≥95%
1 week
United States
$343
- +
50mg
97%
1 week
United States
$404
- +
Product Description
Catalog Number:
AG0039RZ
Chemical Name:
Purvalanol b
CAS Number:
212844-54-7
Molecular Formula:
C20H25ClN6O3
Molecular Weight:
432.9039
MDL Number:
MFCD04118312
IUPAC Name:
2-chloro-4-[[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]amino]benzoic acid
InChI:
InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1
InChI Key:
ZKDXRFMOHZVXSG-HNNXBMFYSA-N
SMILES:
OC[C@@H](C(C)C)Nc1nc(Nc2ccc(c(c2)Cl)C(=O)O)c2c(n1)n(cn2)C(C)C
Properties
Complexity:
583  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
432.168g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
432.909g/mol
Monoisotopic Mass:
432.168g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Literature
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Properties