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ε-Ap4-ε-A

CAT: 1106-BLG-E030-05Size: 5x 1 μmoLDry Ice: NoHazardous: No
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CAT#:1106-BLG-E030-05Size:5x 1 μmoL
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CAS Number
96920-51-3
Product Name Alternative
ε-Apppp-ε-A, P1- (5′-[1, N6-Ethenoadenosyl]) -P4- (5′-[1, N6-Ethenoadenosyl]) -tetraphosphate . sodium salt
Certification
RUO
Purity
> 95% HPLC
Molecular Formula
C 24 H 28 N 10 O 19 P 4 . 4 Na
Molecular Weight
884.4
Shipping Conditions
Ambient Temperature
Storage Conditions
-20°C
Notes
For the Original Manufacturer’s data sheet please click here .
Appearance
Solid

Chemical Information

Epsilon(Ap4A)

structure given in first source; fluorescent analog of Ap4A

CAS Number96920-51-3
PubChem CID175692
IUPAC Name[[(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yloxolan-2-yl]methoxy-hydroxyphosphoryl] [[[(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yloxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
Molecular FormulaC24H28N10O19P4
Molecular Weight884.4
XLogP-5.8
Topological Polar Surface Area391
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count25
Rotatable Bond Count14
Heavy Atom Count57
Formal Charge0
Complexity1570
SMILES
C1=CN2C=NC3=C(C2=N1)N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)N6C=NC7=C6N=CN8C7=NC=C8)O)O)O)O
InChI
InChI=1S/C24H28N10O19P4/c35-15-11(49-23(17(15)37)33-9-27-13-19-25-1-3-31(19)7-29-21(13)33)5-47-54(39,40)51-56(43,44)53-57(45,46)52-55(41,42)48-6-12-16(36)18(38)24(50-12)34-10-28-14-20-26-2-4-32(20)8-30-22(14)34/h1-4,7-12,15-18,23-24,35-38H,5-6H2,(H,39,40)(H,41,42)(H,43,44)(H,45,46)/t11-,12-,15-,16-,17-,18-,23-,24-/m1/s1
InChIKey
JTINNCIJJZFDBZ-INLCHHDGSA-N
Chemical Structure
2D Structure
2D structure of Epsilon(Ap4A)
CAS: 96920-51-3
CID: 175692
Formula: C24H28N10O19P4
MW: 884.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight884.4
XLogP3-5.8
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count25
Rotatable Bond Count14
Exact Mass884.04826669
Monoisotopic Mass884.04826669
Topological Polar Surface Area391 Ų
Heavy Atom Count57
Formal Charge0
Complexity1570
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