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Adenosine Cyclic 2',3'-Phosphate 5'-Phosphate

CAT: 0572-TRC-A280460-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A280460-25MGSize:25 mg
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CAS Number
4527-92-8
Hazard Statement
No Data Available
Smiles
Nc1ncnc2c1ncn2[C@@H]3O[C@H](COP(=O)(O)O)[C@H]4OP(=O)(O)O[C@@H]34
Molecular Formula
C10 H13 N5 O9 P2
Molecular Weight
409.186
InChI
InChI=1S/C10H13N5O9P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(23-26(19,20)24-7)4(22-10)1-21-25(16,17)18/h2-4,6-7,10H,1H2,(H,19,20)(H2,11,12,13)(H2,16,17,18)/t4-,6-,7-,10-/m1/s1
Additionnal Information
IUPAC name: [(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2-hydroxy-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methyl dihydrogen phosphate
Shipping Conditions
Room Temperature

Chemical Information

Adenosine-5'-phosphate-2',3'-cyclic phosphate

Adenosine-5'-phosphate-2',3'-cyclic phosphate is a 2',3'-cyclic purine nucleotide that is AMP in which the hydroxy groups at the 2' and 3' positions have been converted into the corresponding cyclic phosphate. It is a 2',3'-cyclic purine nucleotide, an adenosine bisphosphate and an adenyl ribonucleotide. It is functionally related to an adenosine 5'-monophosphate.

CAS Number4527-92-8
PubChem CID12876352
IUPAC Name[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2-hydroxy-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methyl dihydrogen phosphate
Molecular FormulaC10H13N5O9P2
Molecular Weight409.19
XLogP-3.7
Topological Polar Surface Area201
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity650
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O4)O)N
InChI
InChI=1S/C10H13N5O9P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(23-26(19,20)24-7)4(22-10)1-21-25(16,17)18/h2-4,6-7,10H,1H2,(H,19,20)(H2,11,12,13)(H2,16,17,18)/t4-,6-,7-,10-/m1/s1
InChIKey
HJMBCNJTGVMDOA-KQYNXXCUSA-N
Chemical Structure
2D Structure
2D structure of Adenosine-5'-phosphate-2',3'-cyclic phosphate
CAS: 4527-92-8
CID: 12876352
Formula: C10H13N5O9P2
MW: 409.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight409.19
XLogP3-3.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count4
Exact Mass409.01885100
Monoisotopic Mass409.01885100
Topological Polar Surface Area201 Ų
Heavy Atom Count26
Formal Charge0
Complexity650
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
EAA52792-01Adenosine cyclic 2',3'-phosphate 5'-phosphate
TN7620-01Adenosine 2',3'-cyclic phosphate
OR1075545Adenosine 2',3'-cyclic phosphate (sodium)
sc-207262Adenosine 2',3'-Cyclic Phosphate Triethylammonium Salt
MBS6045195-01Adenosine-2',3'-cyclic Phosphate, Dicyclohexylguanidinium Salt
OR8050TAdenosine-2',3'-cyclic phosphate, dicyclohexyl guanidinium salt
001664Adenosine 2’,3’-Cyclic Phosphate-13C5 Triethylammonium Salt
MBS6086824-01Adenosine 2',3'-Cyclic Phosphate-13C5 Triethylammonium Salt
sc-217583Adenosine 2′,3′-Cyclic Phosphate-13C5 Triethylammonium Salt
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