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Ap4C

CAT: 1106-BLG-A178-005Size: 0.5 μmoLDry Ice: NoHazardous: No
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CAT#:1106-BLG-A178-005Size:0.5 μmoL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1352921-13-1
Product Name Alternative
P1- (5′-Adenosyl) -P4- (5′-cytidyl) -tetraphosphate . tetrasodium salt, Cp4A
Certification
RUO
Purity
> 95% HPLC
Molecular Formula
C 19 H 28 N 8 O 20 P 4 (free acid)
Molecular Weight
812.4
Shipping Conditions
Ambient Temperature
Storage Conditions
-20°C
Notes
For the Original Manufacturer’s data sheet please click here .

Chemical Information

tetrasodium;[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
CAS Number1352921-13-1
PubChem CID172653151
IUPAC Nametetrasodium;[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
Molecular FormulaC19H24N8Na4O20P4
Molecular Weight900.3
Topological Polar Surface Area434
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count24
Rotatable Bond Count14
Heavy Atom Count55
Formal Charge0
Complexity1540
SMILES
C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O.[Na+].[Na+].[Na+].[Na+]
InChI
InChI=1S/C19H28N8O20P4.4Na/c20-9-1-2-26(19(32)25-9)17-13(30)11(28)7(43-17)3-41-48(33,34)45-50(37,38)47-51(39,40)46-49(35,36)42-4-8-12(29)14(31)18(44-8)27-6-24-10-15(21)22-5-23-16(10)27;;;;/h1-2,5-8,11-14,17-18,28-31H,3-4H2,(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H2,20,25,32)(H2,21,22,23);;;;/q;4*+1/p-4/t7-,8-,11-,12-,13-,14-,17-,18-;;;;/m1..../s1
InChIKey
INCZGDAYNDZZMR-VFRYHOCXSA-J
Chemical Structure
2D Structure
2D structure of tetrasodium;[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
CAS: 1352921-13-1
CID: 172653151
Formula: C19H24N8Na4O20P4
MW: 900.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight900.3
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count24
Rotatable Bond Count14
Exact Mass899.9648103
Monoisotopic Mass899.9648103
Topological Polar Surface Area434 Ų
Heavy Atom Count55
Formal Charge0
Complexity1540
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count5
Compound Is CanonicalizedYes