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Etheno-dATP (ε-dATP)

CAT: 0220-NU-256LSize: 5x 50 µLDry Ice: NoHazardous: No
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CAT#:0220-NU-256LSize:5x 50 µL
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CAS Number
81004-54-8
Product Name Alternative
(1, N6-Etheno-dATP)
UNSPSC
12352208
UNSPSC Description
Nucleic acids
HS Code
29349990
eClass Number
34160990
eClass Product Group
Nucleinsäure (nicht klassifiziert)
Concentration
(100 mM)
Purity
≥ 95 % (HPLC)
Form
Solution in water
pH
7.5 ±0.5
Color
Colorless to slightly yellow
Autoclavability
—
Smiles
N1ccn2cnc3n([C@H]4C[C@@H]([C@H](O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)cnc3c12
Shipping Conditions
Shipped on gel packs
Storage Conditions
Store at -20 °C. Short term exposure (up to 1 week cumulative) to ambient temperature possible.
Storage Temperature
Store at -20 °C
Notes
Short term exposure (up to 1 week cumulative) to ambient temperature possible.
Shelf Life
12 months after date of delivery

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
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View on PubChemRaw 3D data
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
Product Datasheet
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Product MSDS
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