Home Aminos 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium chloride

3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium chloride

CAS No.:
154-87-0
Catalog Number:
AG00AK3K
Molecular Formula:
C12H19ClN4O7P2S
Molecular Weight:
460.7674
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%(HPLC)
In Stock USA
United States
$73
- +
5g
98%(HPLC)
In Stock USA
United States
$154
- +
25g
98%(HPLC)
In Stock USA
United States
$351
- +
Product Description
Catalog Number:
AG00AK3K
Chemical Name:
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium chloride
CAS Number:
154-87-0
Molecular Formula:
C12H19ClN4O7P2S
Molecular Weight:
460.7674
MDL Number:
MFCD00038740
IUPAC Name:
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate;chloride
InChI:
InChI=1S/C12H18N4O7P2S.ClH/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13;/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21);1H
InChI Key:
YXVCLPJQTZXJLH-UHFFFAOYSA-N
SMILES:
Cc1ncc(c(n1)N)C[n+]1csc(c1C)CCOP(=O)(OP(=O)(O)O)O.[Cl-]
EC Number:
205-836-1
UNII:
XMK8K8EVIU
Properties
Complexity:
568  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
460.014g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
460.763g/mol
Monoisotopic Mass:
460.014g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
197A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
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