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ε-dATP

CAT: 1106-BLG-D078-05Size: 5 μmoLDry Ice: YesHazardous: No
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CAT#:1106-BLG-D078-05Size:5 μmoL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
81004-54-8
Product Name Alternative
2′-Deoxy-1, N6-ethenoadenosine-5′-O-triphosphate . sodium salt
Certification
RUO
Type
Modified nucleotides
Purity
> 95% HPLC
Molecular Formula
C 12 H 16 N 5 O 12 P 3 (free acid)
Molecular Weight
515.2 (free acid)
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

1,N(6)-Etheno-2'-deoxyadenosine 5'-triphosphate
CAS Number81004-54-8
PubChem CID3036816
IUPAC Name[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-imidazo[2,1-f]purin-3-yloxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
Molecular FormulaC12H16N5O12P3
Molecular Weight515.20
XLogP-3.5
Topological Polar Surface Area237
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count15
Rotatable Bond Count8
Heavy Atom Count32
Formal Charge0
Complexity846
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN4C3=NC=C4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
InChI
InChI=1S/C12H16N5O12P3/c18-7-3-9(17-6-14-10-11-13-1-2-16(11)5-15-12(10)17)27-8(7)4-26-31(22,23)29-32(24,25)28-30(19,20)21/h1-2,5-9,18H,3-4H2,(H,22,23)(H,24,25)(H2,19,20,21)/t7-,8+,9+/m0/s1
InChIKey
OLJFCGDEGHURMU-DJLDLDEBSA-N
Chemical Structure
2D Structure
2D structure of 1,N(6)-Etheno-2'-deoxyadenosine 5'-triphosphate
CAS: 81004-54-8
CID: 3036816
Formula: C12H16N5O12P3
MW: 515.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight515.20
XLogP3-3.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count15
Rotatable Bond Count8
Exact Mass515.00083196
Monoisotopic Mass515.00083196
Topological Polar Surface Area237 Ų
Heavy Atom Count32
Formal Charge0
Complexity846
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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