Home Other Building Blocks A 802715

A 802715

CAS No.:
107767-58-8
Catalog Number:
AG0097IC
Molecular Formula:
C16H26N4O3
Molecular Weight:
322.4026
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
98%
1 week
United States
$390
- +
5mg
98%
1 week
United States
$723
- +
10mg
98%
1 week
United States
$1190
- +
20mg
98%
1 week
United States
$2057
- +
Product Description
Catalog Number:
AG0097IC
Chemical Name:
A 802715
CAS Number:
107767-58-8
Molecular Formula:
C16H26N4O3
Molecular Weight:
322.4026
MDL Number:
MFCD00916656
IUPAC Name:
1-(5-hydroxy-5-methylhexyl)-3-methyl-7-propylpurine-2,6-dione
InChI:
InChI=1S/C16H26N4O3/c1-5-9-19-11-17-13-12(19)14(21)20(15(22)18(13)4)10-7-6-8-16(2,3)23/h11,23H,5-10H2,1-4H3
InChI Key:
SBKAARSDXHSHSM-UHFFFAOYSA-N
SMILES:
CCCn1cnc2c1c(=O)n(CCCCC(O)(C)C)c(=O)n2C
Properties
Complexity:
455  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.2g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
322.409g/mol
Monoisotopic Mass:
322.2g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
78.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties