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2-Amino-ATP

CAT: 0804-HY-131787Size: 1 EachDry Ice: NoHazardous: No
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Description
2-Amino-ATP is a monomeric raw material that can be used for nucleic acid synthesis.
CAS Number
18549-34-3
UNSPSC
12352005
Target
Nucleoside Antimetabolite/Analog
Related Pathways
Cell Cycle/DNA Damage
Field of Research
Metabolic Disease
Smiles
O=P(O)(O)OP(OP(OC[C@H]1O[C@@H](N2C3=C(N)N=C(N)N=C3N=C2)[C@H](O)[C@@H]1O)(O)=O)(O)=O
Molecular Formula
C10H17N6O13P3
Molecular Weight
522.20
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

[[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
CAS Number18549-34-3
PubChem CID24984804
IUPAC Name[[(2R,3S,4R,5R)-5-(2,6-diaminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Molecular FormulaC10H17N6O13P3
Molecular Weight522.20
XLogP-6.1
Topological Polar Surface Area305
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count18
Rotatable Bond Count8
Heavy Atom Count32
Formal Charge0
Complexity832
SMILES
C1=NC2=C(N=C(N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N)N
InChI
InChI=1S/C10H17N6O13P3/c11-7-4-8(15-10(12)14-7)16(2-13-4)9-6(18)5(17)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H4,11,12,14,15)/t3-,5-,6-,9-/m1/s1
InChIKey
CABDYDUZLRXGTB-UUOKFMHZSA-N
Chemical Structure
2D Structure
2D structure of [[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
CAS: 18549-34-3
CID: 24984804
Formula: C10H17N6O13P3
MW: 522.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight522.20
XLogP3-6.1
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count18
Rotatable Bond Count8
Exact Mass522.00664561
Monoisotopic Mass522.00664561
Topological Polar Surface Area305 Ų
Heavy Atom Count32
Formal Charge0
Complexity832
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
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JBS-NU-250S2-Amino-ATP (S pack)
JBS-NU-250L2-Amino-ATP (L pack)
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TSW-01125-013'-Amino-2',3'-dideoxy-ATP
TSW-00813-012-Amino-ATP sodium solution (100mM)
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