Basic information
- CAS
1264440-62-1- Standard SMILES
Nc1ncnc2c1ncn2C1OC(CO)C2OP(=O)(O)OC21- InChIKey
KMYWVDDIPVNLME-UHFFFAOYSA-N- Molecular formula
- C10H12N5O6P
- Average molar mass
- 329.21 g/mol
- Monoisotopic mass
- 329.05252012
Overview
Adenosine 2',3'-cyclic phosphate is a 2',3'-cyclic purine nucleotide.
Names & identifiers
- Preferred name
- Adenosine 2',3'-cyclic phosphate
- IUPAC
- [4-(6-aminopurin-9-yl)-2-hydroxy-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methanol
- English name
- 4-(6-Amino-purin-9-yl)-6-HO-methyl-2-oxo-4H-furo(3,4-d)(1,3,2)dioxaphosphol-2-ol
- Molecular formula
- C10H12N5O6P
- Molecular weight
- 329.21
Names & synonyms
4-(6-Amino-9H-purin-9-yl)-2-hydroxy-6-(hydroxymethyl)tetrahydrofuro[3,4-d][1,3,2]dioxaphosphole 2-oxideAdenosine 2',3'-cyclic phosphate1264440-62-12',3'-Cyclic adenosine monophosphate4-(6-amino-9h-purin-9-yl)-6-(hydroxymethyl)tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-2-ol 2-oxideadenosine 2',3'-cyclic monophosphateCHEMBL4574750SCHEMBL29389407CHEBI:175195DTXSID001371804AKOS015998433ST104251
Show more names
"ADENOSINE 2',3'-CYCLIC PHOSPHATE"NS00035430cyclic 2',3'-(hydrogen phosphate)-AdenosineAdenosine 2,3-Cyclic Phosphate Triethylammonium SaltAdenosine 2',3'-cyclic monophosphate triethylammonium saltADENOSINE-2',3'-CYCLIC PHOSPHATE, DICYCLOHEXYLGUANIDINIUM SALT[4-(6-aminopurin-9-yl)-2-hydroxy-2-oxo-3a,4,6,6a-tetrahydrouro[3,4-d][1,3,2]dioxaphosphol-6-yl]methanol4-(6-AMINO-PURIN-9-YL)-6-HO-METHYL-2-OXO-4H-FURO(3,4-D)(1,3,2)DIOXAPHOSPHOL-2-OL
Database identifiers
- CAS
1264440-62-1、634-01-5
Properties
Computed structural properties
- XLogP
- -2.6
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 498
Experimental & physicochemical properties
Physical DescriptionSolid
Collision Cross Section
181 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
169.4 Ų [M-H]-
Physicochemical properties
- Boiling point
- 688.2 · 688.2±65.0 °C(Predicted)
- Density
- 2.47 · 2.47±0.1 g/cm3(Predicted)
- pka
- 0.98 · 0.98±0.60(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Pharmacology
Tissue LocationsPlacenta
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Additional notes
DefinitionChEBI: Adenosine 2',3'-cyclic phosphate is a 2',3'-cyclic purine nucleotide.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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