Basic information
- CAS
96920-51-3- Standard SMILES
O=P(O)(OC[C@H]1O[C@@H](n2cnc3c2ncn2ccnc32)[C@H](O)[C@@H]1O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c2ncn2ccnc32)[C@H](O)[C@@H]1O- InChIKey
JTINNCIJJZFDBZ-INLCHHDGSA-N- Molecular formula
- C24H28N10O19P4
- Average molar mass
- 884.4 g/mol
- Monoisotopic mass
- 884.04826669
Overview
structure given in first source; fluorescent analog of Ap4A
Names & identifiers
- Preferred name
- Epsilon(Ap4A)
- IUPAC
- [[(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
- English name
- di(1,N(6)-ethenoadenosine)-5',5'''-P(1),P(4)-tetraphosphate
- Molecular formula
- C24H28N10O19P4
- Molecular weight
- 884.429764
Names & synonyms
Epsilon(Ap4A)Di(1,N(6)-ethenoadenosine)-5',5'''-P(1),P(4)-tetraphosphate96920-51-3RefChem:921069[[(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 phosphate9-(5-O-(Hydroxy((hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)oxy)phosphinyl)-beta-D-ribifuranosyl)-3H-imidazo(2,1-i)purine 5'-5'-ester with 3-beta-D-ribofuransoyl-3H-imidaz(2,1-i)purine3H-Imidazo(2,1-i)purine, 9-(5-O-(hydroxy((hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)oxy)phosphinyl)-beta-D-ribifuranosyl)-, 5'-5'-ester with 3-beta-D-ribofuransoyl-3H-imidaz(2,1-i)purineReaxys ID: 26240852DI(1,N(6)-ETHENOADENOSINE)-5',5'-P(1),P(4)-TETRAP...
Database identifiers
- CAS
96920-51-3- PubChem CID
- 175692
- Nikkaji
- J1.588.455J
Properties
Computed structural properties
- XLogP
- -5.8
- Topological polar surface area
- 391 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 25
- Rotatable bonds
- 14
- Heavy atoms
- 57
- Formal charge
- 0
- Complexity
- 1,570
Chemistry & industry
Suppliers1 total
上海梅凯科技有限公司15300790979 18964014359 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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