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Ap2A /AppA

CAT: 1106-BLG-D054-005Size: 0.5 μmoLDry Ice: NoHazardous: No
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CAT#:1106-BLG-D054-005Size:0.5 μmoL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
85065-24-3
Product Name Alternative
P1, P2-Di- (adenosine-5′) -diphosphate . disodium salt
Certification
RUO
Purity
> 95% HPLC
Molecular Formula
C 20 H 26 N 10 O 13 P 2 (free acid)
Molecular Weight
676.4
Shipping Conditions
Ambient Temperature
Storage Conditions
-20°C
Notes
For the Original Manufacturer’s data sheet please click here .

Chemical Information

S-Adenosyl-L-Methionine Impurity 16
CAS Number85065-24-3
PubChem CID102368642
IUPAC Namedisodium;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
Molecular FormulaC20H24N10Na2O13P2
Molecular Weight720.4
Topological Polar Surface Area347
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count21
Rotatable Bond Count10
Heavy Atom Count47
Formal Charge0
Complexity1050
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)N.[Na+].[Na+]
InChI
InChI=1S/C20H26N10O13P2.2Na/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(41-19)1-39-44(35,36)43-45(37,38)40-2-8-12(32)14(34)20(42-8)30-6-28-10-16(22)24-4-26-18(10)30;;/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H2,21,23,25)(H2,22,24,26);;/q;2*+1/p-2/t7-,8-,11-,12-,13-,14-,19-,20-;;/m1../s1
InChIKey
RSPOYXQUPLSZDL-VEQUCWRQSA-L
Chemical Structure
2D Structure
2D structure of S-Adenosyl-L-Methionine Impurity 16
CAS: 85065-24-3
CID: 102368642
Formula: C20H24N10Na2O13P2
MW: 720.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight720.4
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count21
Rotatable Bond Count10
Exact Mass720.07949342
Monoisotopic Mass720.07949342
Topological Polar Surface Area347 Ų
Heavy Atom Count47
Formal Charge0
Complexity1050
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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