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3′-Deoxyadenosine 5′-diphosphate

CAT: 0804-HY-138227Size: 1 EachDry Ice: NoHazardous: No
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Description
3′-Deoxyadenosine 5′-diphosphate (3′-dADP) It can be used to study various physiological processes such as energy metabolism and information transmission.
CAS Number
13052-95-4
Product Name Alternative
3′-dADP
UNSPSC
12352005
Target
DNA/RNA Synthesis
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage
Applications
Cancer-programmed cell death
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/3-deoxyadenosine-5-diphosphate.html
Smiles
NC1=NC=NC2=C1N=CN2[C@H]3[C@H](O)C[C@@H](COP(OP(O)(O)=O)(O)=O)O3
Molecular Formula
C10H15N5O9P2
Molecular Weight
411.20
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

3'-Deoxyadenosine 5'-(trihydrogen diphosphate)
CAS Number13052-95-4
PubChem CID11235268
IUPAC Name[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
Molecular FormulaC10H15N5O9P2
Molecular Weight411.20
XLogP-3.4
Topological Polar Surface Area212
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count13
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity607
SMILES
C1[C@H](O[C@H]([C@@H]1O)N2C=NC3=C(N=CN=C32)N)COP(=O)(O)OP(=O)(O)O
InChI
InChI=1S/C10H15N5O9P2/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(16)1-5(23-10)2-22-26(20,21)24-25(17,18)19/h3-6,10,16H,1-2H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)/t5-,6+,10+/m0/s1
InChIKey
OBEBFUHFXYDSAW-BAJZRUMYSA-N
Chemical Structure
2D Structure
2D structure of 3'-Deoxyadenosine 5'-(trihydrogen diphosphate)
CAS: 13052-95-4
CID: 11235268
Formula: C10H15N5O9P2
MW: 411.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight411.20
XLogP3-3.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count13
Rotatable Bond Count6
Exact Mass411.03450107
Monoisotopic Mass411.03450107
Topological Polar Surface Area212 Ų
Heavy Atom Count26
Formal Charge0
Complexity607
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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