4-(6-Aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylic acid
Basic information
- CAS
19234-66-3- Standard SMILES
CC1(C)OC2C(C(=O)O)OC(n3cnc4c(N)ncnc43)C2O1- InChIKey
RRTBBKSJPNRFCG-UHFFFAOYSA-N- Molecular formula
- C13H15N5O5
- Average molar mass
- 321.29 g/mol
- Monoisotopic mass
- 321.1073186
Names & identifiers
- Preferred name
- 4-(6-Aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylic acid
- IUPAC
- 4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylic acid
- English name
- 2',3'-Isopropylidene Adenosine-5'-carboxylic Acid
- Molecular formula
- C13H15N5O5
- Molecular weight
- 321.29
Names & synonyms
19234-66-34-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylic acid2',3'-Isopropylidene Adenosine-5'-carboxylic AcidMFCD013180252',3'-O-ISOPROPYLIDENE-ADENOSINE-5'-CARBOXYLIC ACIDbeta-D-Ribofuranuronic acid, 1-(6-amino-9H-purin-9-yl)-1-deoxy-2,3-O-(1-methylethylidene)-NSC1436789-[2,3-o-(1-methylethylidene)pentofuranuronosyl]-9h-purin-6-amineSCHEMBL20580185DTXSID80301486AKOS030254393NC07451
Show more names
ISOPROPYLIDENE-ADENOSINE-5-CARBOXYLIC ACID2',3'-O-Isopropylideneadenosine-5'-carboxylicacid1-(6-AMino-9H-purin-9-yl)-1-deoxy-2,3-O-(1-Methylethylidene)-b-D-Ribofuranuronic acid,1-(6-amino-9H-purin-9-yl)-1-deoxy-2,3-O-(1-methylethylidene)-β-D-Ribofuranuronic acid, 1-(6-amino-9H-purin-9-yl)-1-deoxy-2,3-O-(1-methylethylidene)-β-D-Ribofuranuronic acid, 1-(6-amino-9H-purin-9-yl)-1-deoxy-2,3-O-(1-methylethylidene)-1-?(6-?amino-?9H-?purin-?9-?yl)?-?1-?deoxy-?2,?3-?O-?(1-?methylethylidene)?-β-?D-?Ribofuranuronicacid
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 505
Physicochemical properties
- Melting point
- 276 · 276-279°C
- Boiling point
- 628.9 · 628.9±65.0 °C(Predicted)
- Density
- 1.92 · 1.92±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- DMSO (Slightly), Methanol (Slightly, Heated)
- form
- Solid
- pka
- 2.59 · 2.59±0.60(Predicted)
- color
- White to Off-White
Chemistry & industry
Applications
Uses2',3'-Isopropylidene Adenosine-5'-carboxylic Acid is used in the preparation of nucleosides as adenosine A3 receptor agonists.
Upstream & downstream products
Downstream products
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…