Cas no 30993-48-7 (Adenosine 5'-(tetrahydrogen triphosphate), 3'-O-methyl- (9CI))

Adenosine 5'-(tetrahydrogen triphosphate), 3'-O-methyl- (9CI) structure

30993-48-7 structure

Product Name:Adenosine 5'-(tetrahydrogen triphosphate), 3'-O-methyl- (9CI)

CAS No:30993-48-7

MF:C₁₁H₁₈N₅O₁₃P₃

MW:521.207604885101

CID:1445532

PubChem ID:50995271

Update Time:2025-04-20

Adenosine 5'-(tetrahydrogen triphosphate), 3'-O-methyl- (9CI) Chemical and Physical Properties

Names and Identifiers

- Adenosine 5'-(tetrahydrogen triphosphate), 3'-O-methyl-
- 3'-O-Methyladenosine 5'-triphosphate
- 3'-O-Methyl-ATP
- Adenosine, 3'-O-methyl-, 5'-(tetrahydrogen triphosphate) (8CI)
- Adenosine 5'-(tetrahydrogen triphosphate), 3'-O-methyl- (9CI)
- 3'-O-Methyladenosine 5'-triphosphoric acid
- CHEMBL326643
- 30993-48-7
- CHEMBL3142845
- BDBM50026193
- SCHEMBL1057406
- 3'-O-Methyl-ATP
- 3'-O-Methyladenosine 5'-triphosphate
- Inchi： 1S/C11H18N5O13P3/c1-25-8-5(2-26-31(21,22)29-32(23,24)28-30(18,19)20)27-11(7(8)17)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17H,2H2,1H3,(H,21,22)(H,23,24)(H2,12,13,14)(H2,18,19,20)/t5-,7-,8-,11-/m1/s1
- InChI Key： KBRUDTFHPCJUEC-IOSLPCCCSA-N
- SMILES： P(=O)(O)(OP(=O)(O)OP(=O)(O)O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(N)=NC=NC2=3)O1)O)OC

Computed Properties

Exact Mass: 521.01154
Monoisotopic Mass: 521.01139664g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 6
Hydrogen Bond Acceptor Count: 17
Heavy Atom Count: 32
Rotatable Bond Count: 9
Complexity: 816
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: -5.2
Topological Polar Surface Area: 268?2

Experimental Properties

PSA: 268.13

Adenosine 5'-(tetrahydrogen triphosphate), 3'-O-methyl- (9CI) Production Method

Production Method 1

530-62-1

60091-04-5

30993-48-7

Reaction Conditions

1.1
2.1R:Bu3N ?xH4P2O7

Reference

: Isozyme-specific enzyme inhibitors. 10. Adenosine 5'-triphosphate derivatives as substrates or inhibitors of methionine adenosyltransferases of rat normal and hepatoma tissues

By Kappler, Francis et al, Journal of Medicinal Chemistry, 1986, 29(3), 318-22

Adenosine 5'-(tetrahydrogen triphosphate), 3'-O-methyl- (9CI) Raw materials

Adenosine 5'-(tetrahydrogen triphosphate), 3'-O-methyl- (9CI) Preparation Products

Adenosine 5'-(tetrahydrogen triphosphate), 3'-O-methyl- (9CI) (30993-48-7)

Adenosine 5'-(tetrahydrogen triphosphate), 3'-O-methyl- (9CI) Suppliers

NewCan Biotech Limited

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(CAS:30993-48-7)3'-O-Methyladenosine 5'-triphosphate lithium salt

Order Number:NC12098

Stock Status:

Quantity:10g

Purity:97%

Pricing Information Last Updated:Friday, 18 July 2025 16:07

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