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ApCp

CAT: 0220-NU-420-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0220-NU-420-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3768-14-7
Product Name Alternative
(AMPCP)
Synonyms
(AMPCP)
UNSPSC
12352208
UNSPSC Description
Nucleic acids
HS Code
29349990
eClass Number
34160990
eClass Product Group
Nucleinsäure (nicht klassifiziert)
Applications
X-ray studies with selenophosphate synthetase 1[1] Inhibition of ecto phosphodiesterase DPSPX and ecto nucleodidase AMPCP[2] Inhibition of 5'-nucleotidase[3] Agonistic ligand, mainly for nucleoside receptor A1 Nucleosidephosphates stabilized against hydrolytic degradation can directly bind to nucleoside receptors.
Purity
≥ 98 % (HPLC)
Form
Solid
Color
White to off-White
Autoclavability
—
Smiles
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O
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

Alpha,beta-methylene adenosine 5'-diphosphate

Adenosine 5'-methylenediphosphate is a nucleoside diphosphate analogue.

CAS Number3768-14-7
PubChem CID92199
IUPAC Name[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
Molecular FormulaC11H17N5O9P2
Molecular Weight425.23
XLogP-4.8
Topological Polar Surface Area223
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity637
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)O)O)O)O)N
InChI
InChI=1S/C11H17N5O9P2/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(25-11)1-24-27(22,23)4-26(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1
InChIKey
OLCWZBFDIYXLAA-IOSLPCCCSA-N
Chemical Structure
2D Structure
2D structure of Alpha,beta-methylene adenosine 5'-diphosphate
CAS: 3768-14-7
CID: 92199
Formula: C11H17N5O9P2
MW: 425.23
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight425.23
XLogP3-4.8
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count6
Exact Mass425.05015113
Monoisotopic Mass425.05015113
Topological Polar Surface Area223 Ų
Heavy Atom Count27
Formal Charge0
Complexity637
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
Product Datasheet
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Product MSDS
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