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6-PhEt-dATP

CAT: 1106-BLG-D104-05Size: 5 μmoLDry Ice: YesHazardous: No
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CAT#:1106-BLG-D104-05Size:5 μmoL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1239610-11-7
Product Name Alternative
2′-Deoxy-N6- (2-phenylethyl) adenosine-5′-O-triphosphate . tetrasodium salt
Certification
RUO
Type
Modified nucleotides
Concentration
10 mM
Purity
> 95% HPLC
Molecular Formula
C 18 H 24 N 5 O 12 P 3 (free acid)
Molecular Weight
595.3
Shipping Conditions
Dry Ice
Storage Conditions
-80°C
Notes
For the Original Manufacturer’s data sheet please click here .
Appearance
10 mM aqueous solution

Chemical Information

[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-[6-(2-phenylethylamino)purin-9-yl]oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
CAS Number1239610-11-7
PubChem CID172653145
IUPAC Name[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-[6-(2-phenylethylamino)purin-9-yl]oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
Molecular FormulaC18H24N5O12P3
Molecular Weight595.3
XLogP-2.1
Topological Polar Surface Area245
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count16
Rotatable Bond Count12
Heavy Atom Count38
Formal Charge0
Complexity939
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)NCCC4=CC=CC=C4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
InChI
InChI=1S/C18H24N5O12P3/c24-13-8-15(33-14(13)9-32-37(28,29)35-38(30,31)34-36(25,26)27)23-11-22-16-17(20-10-21-18(16)23)19-7-6-12-4-2-1-3-5-12/h1-5,10-11,13-15,24H,6-9H2,(H,28,29)(H,30,31)(H,19,20,21)(H2,25,26,27)/t13-,14+,15+/m0/s1
InChIKey
CXOSTZJQVCENBQ-RRFJBIMHSA-N
Chemical Structure
2D Structure
2D structure of [hydroxy-[[(2R,3S,5R)-3-hydroxy-5-[6-(2-phenylethylamino)purin-9-yl]oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
CAS: 1239610-11-7
CID: 172653145
Formula: C18H24N5O12P3
MW: 595.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight595.3
XLogP3-2.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count16
Rotatable Bond Count12
Exact Mass595.06343221
Monoisotopic Mass595.06343221
Topological Polar Surface Area245 Ų
Heavy Atom Count38
Formal Charge0
Complexity939
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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T89014-016-PhEt-dATP
MBS256427-012'- Deoxy- N6- (2- phenylethyl)adenosine- 5'- O- triphosphate (6-PhEt-dATP)
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NU-864-CY5Γ- (6-Aminohexyl) -dATP-Cy5
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