POLY(PHENYLMETHYL)SILANE
Product Information
Molecular Formula
C10H16N5O13P3
Description
2-hydroxy-dATP is a purine 2'-deoxyribonucleoside 5'-triphosphate in which the 2'-deoxyribonucleoside moiety is 2'-deoxy-2-hydroxyadenosine. It is a conjugate acid of a 2-hydroxy-dATP(3-).
Synonyms
POLY(PHENYLMETHYL)SILANE
IUPAC Name
[[(2R,3S,5R)-5-(6-amino-2-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
SMILES
C1C(C(OC1N2C=NC3=C(NC(=O)N=C32)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
InChI
InChI=1S/C10H16N5O13P3/c11-8-7-9(14-10(17)13-8)15(3-12-7)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1
InChI Key
UOACBPRDWRDEHJ-KVQBGUIXSA-N
Flash Point
> 121 °C
Purity
95%
Safety Information
Hazards
H210:
H210
H210
Computed Properties
XLogP3
-5.8
Hydrogen Bond Donor Count
7
Hydrogen Bond Acceptor Count
15
Rotatable Bond Count
8
Exact Mass
506.99574658 g/mol
Monoisotopic Mass
506.99574658 g/mol
Topological Polar Surface Area
272Ų
Heavy Atom Count
31
Formal Charge
0
Complexity
1010
Isotope Atom Count
0
Defined Atom Stereocenter Count
3
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
