Basic information
- CAS
3415-09-6- Standard SMILES
Nc1ncnc2c1ncn2C1OC(C(=O)O)C(O)C1O- InChIKey
IBYWUFHJUDTSOC-UHFFFAOYSA-N- Molecular formula
- C10H11N5O5
- Average molar mass
- 281.23 g/mol
- Monoisotopic mass
- 281.07601845
Names & identifiers
- Preferred name
- Adenosine-5'-carboxylic acid
- IUPAC
- 5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carboxylic acid
- English name
- Adenosine-5'-carboxylic acid
- Molecular formula
- C10H11N5O5
- Molecular weight
- 281.22
Names & synonyms
NSC137784Adenosine-5'-carboxylic acid9-pentofuranuronosyl-9h-purin-6-amine5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carboxylic acidNSC-1377845'-carboxyadenosineAdenine ribofuranosyluronic acidSCHEMBL2117314DTXSID50955692HMS1677I18AKOS000656244NA158444
Show more names
9-riburonosyladenineβ-D-Ribofuranuronic acid, 1-(6-amino-9H-purin-9-yl)-1-deoxy-2-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetic acid(2S,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-carboxylic acid
NCI60_000858ST0895325-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolane-2-carboxylic acid
Database identifiers
- CAS
3415-09-6- PubChem CID
- 283288
- DTXSID
DTXSID50955692
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 398
Physicochemical properties
- Melting point
- 198 · 198-200 °C
- Boiling point
- 756.3 · 756.3±70.0 °C(Predicted)
- Density
- 2.24 · 2.24±0.1 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- solubility
- DMSO, Water
- form
- Solid
- pka
- 2.73 · 2.73±0.70(Predicted)
- color
- White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesAdenosine-5''-carboxylic Acid is an intermediate in the synthesis of Adenosine 5''-Monophosphate-5'',5''''-d2 Disodium Salt (A281793). Adenosine 5''-Monophosphate-5'',5''''-d2 Disodium Salt is the isotope labelled analogue of Adenosine 5’-Monophosphate (A281790), a nucleotide that is used as a monomer in RNA.
Suppliers29 total
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
郑州裕和食品添加剂有限公司13838386843 13838386843 · [email protected]
南京林叶化学试剂有限公司13376084917 13376082704 · [email protected]
攀纳燊（河南）医药科学技术有限公司0371-65325800 13700860222 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
北京汤普森生物科技有限公司+86-13439059536 +86-15201677815 · [email protected]
Wuhan Jingkang en Biomedical Technology Co., Ltd+86-0086-13720134139 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
杭州六可生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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