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PApG

CAT: 1106-BLG-P082-05Size: 5x 1 μmoLDry Ice: NoHazardous: No
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CAT#:1106-BLG-P082-05Size:5x 1 μmoL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5064-50-6
Product Name Alternative
5′-Phosphoadenylyl- (3’→5′) -guanosine . sodium salt, 5′-p (rA) p (rG)
Certification
RUO
Purity
> 95% HPLC
Molecular Formula
C 20 H 26 N 10 O 14 P 2 (free acid)
Molecular Weight
692.4
Shipping Conditions
Ambient Temperature
Storage Conditions
-20°C
Notes
For the Original Manufacturer’s data sheet please click here .

Chemical Information

[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate
CAS Number5064-50-6
PubChem CID135563766
IUPAC Name[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate
Molecular FormulaC20H26N10O14P2
Molecular Weight692.4
XLogP-6.9
Topological Polar Surface Area357
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count20
Rotatable Bond Count10
Heavy Atom Count46
Formal Charge0
Complexity1280
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5N=C(NC6=O)N)O)O)O)N
InChI
InChI=1S/C20H26N10O14P2/c21-14-8-15(24-3-23-14)29(4-25-8)19-12(33)13(7(43-19)2-40-45(35,36)37)44-46(38,39)41-1-6-10(31)11(32)18(42-6)30-5-26-9-16(30)27-20(22)28-17(9)34/h3-7,10-13,18-19,31-33H,1-2H2,(H,38,39)(H2,21,23,24)(H2,35,36,37)(H3,22,27,28,34)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1
InChIKey
SXJAFMAZBFVAJD-INFSMZHSSA-N
Chemical Structure
2D Structure
2D structure of [(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate
CAS: 5064-50-6
CID: 135563766
Formula: C20H26N10O14P2
MW: 692.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight692.4
XLogP3-6.9
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count20
Rotatable Bond Count10
Exact Mass692.11051954
Monoisotopic Mass692.11051954
Topological Polar Surface Area357 Ų
Heavy Atom Count46
Formal Charge0
Complexity1280
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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