Cas no 57596-78-8 (Adenosine 5'-(tetrahydrogen triphosphate), N-(3-methyl-2-buten-1-yl)-)

Adenosine 5'-(tetrahydrogen triphosphate), N-(3-methyl-2-buten-1-yl)- structure

57596-78-8 structure

Product Name:Adenosine 5'-(tetrahydrogen triphosphate), N-(3-methyl-2-buten-1-yl)-

CAS No:57596-78-8

MF:C₁₅H₂₄N₅O₁₃P₃

MW:575.298046112061

CID:344856

Update Time:2024-01-28

Adenosine 5'-(tetrahydrogen triphosphate), N-(3-methyl-2-buten-1-yl)- Chemical and Physical Properties

Names and Identifiers

- Adenosine 5'-(tetrahydrogen triphosphate), N-(3-methyl-2-butenyl)-
- N-Isopentenyladenosine 5'-phosphate
- N-(3-Methyl-2-buten-1-yl)adenosine 5'-(tetrahydrogen triphosphate)
- Adenosine 5'-(tetrahydrogen triphosphate), N-(3-methyl-2-butenyl)- (9CI)
- Adenosine 5'-(tetrahydrogen triphosphate), N-(3-methyl-2-buten-1-yl)-
- N-(3-Methyl-2-buten-1-yl)adenosine 5'-(tetrahydrogen triphosphate)
- N-Isopentenyladenosine 5'-phosphate
- Inchi： 1S/C15H24N5O13P3/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(22)11(21)9(31-15)5-30-35(26,27)33-36(28,29)32-34(23,24)25/h3,6-7,9,11-12,15,21-22H,4-5H2,1-2H3,(H,26,27)(H,28,29)(H,16,17,18)(H2,23,24,25)/t9-,11-,12-,15-/m1/s1
- InChI Key： OPLVZTYVQUWKHB-SDBHATRESA-N
- SMILES： C(OP(=O)(O)OP(O)(=O)OP(O)(O)=O)[C@H]1O[C@@H](N2C3C(=C(N=CN=3)NC/C=C(\C)/C)N=C2)[C@H](O)[C@@H]1O

Computed Properties

Exact Mass: 575.05852
Monoisotopic Mass: 575.058
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 7
Hydrogen Bond Acceptor Count: 17
Heavy Atom Count: 36
Rotatable Bond Count: 11
Complexity: 948
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 4
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: _3.5
Topological Polar Surface Area: 265A^2

Experimental Properties

Density: 2.06±0.1 g/cm3(Predicted)
Boiling Point: 914.6±75.0 °C(Predicted)
PSA: 265.14
pka: 0.97±0.50(Predicted)

Adenosine 5'-(tetrahydrogen triphosphate), N-(3-methyl-2-buten-1-yl)- Production Method

Production Method 1

55673-61-5

13822-06-5

57596-78-8

Reaction Conditions

1.1R:NaOH, S:H2O, 40°C, pH 11
1.2R:HCO2H, 40°C → -70°C
1.3R:H2CO3-Et3N (1:1), pH 8

Reference

: Anticancer activity of natural cytokinins: A structure-activity relationship study

By Voller, Jiri et al, Phytochemistry (Elsevier, 2010, 71(11-12), 1350-1359

Adenosine 5'-(tetrahydrogen triphosphate), N-(3-methyl-2-buten-1-yl)- Raw materials

Adenosine 5'-(tetrahydrogen triphosphate), N-(3-methyl-2-buten-1-yl)- Preparation Products

Adenosine 5'-(tetrahydrogen triphosphate), N-(3-methyl-2-buten-1-yl)- (57596-78-8)

Adenosine 5'-(tetrahydrogen triphosphate), N-(3-methyl-2-buten-1-yl)- Suppliers

NewCan Biotech Limited

Gold Member

Audited Supplier

(CAS:57596-78-8)Adenosine 5'-(tetrahydrogen triphosphate), N-(3-methyl-2-buten-1-yl)-

Order Number:NC20288

Stock Status:

Quantity:10g

Purity:97%

Pricing Information Last Updated:Friday, 18 July 2025 16:04

Price ($):Price inquiry

Email:[email protected]

Adenosine 5'-(tetrahydrogen triphosphate), N-(3-methyl-2-buten-1-yl)- Related Literature

1. Examination of the hydrogen-bonding networks in small water clusters (n = 2–5, 13, 17) using absolutely localized molecular orbital energy decomposition analysis?

Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
2. Enabling non-flammable Li-metal batteries via electrolyte functionalization and interface engineering?

Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
3. Ester-mediated peptide formation promoted by deep eutectic solvents: a facile pathway to proto-peptides?

Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?

Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
5. Examination of deposit in commercial diluted phosphoric acid

Analyst, 1880,5, 146-147

57596-78-8 (Adenosine 5'-(tetrahydrogen triphosphate), N-(3-methyl-2-buten-1-yl)-) Related Products

Recommended suppliers