2-(1-hexyn-1-yl)adenosine-5'-uronamide
2-(1-hexyn-1-yl)adenosine-5'-uronamide structure
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Common Name | 2-(1-hexyn-1-yl)adenosine-5'-uronamide | ||
|---|---|---|---|---|
| CAS Number | 142103-07-9 | Molecular Weight | 360.36800 | |
| Density | 1.63g/cm3 | Boiling Point | 798.1ºC at 760mmHg | |
| Molecular Formula | C16H20N6O4 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 436.5ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | (2S,3S,4R,5R)-5-(6-amino-2-hex-1-ynylpurin-9-yl)-3,4-dihydroxyoxolane-2-carboxamide |
|---|
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.63g/cm3 |
|---|---|
| Boiling Point | 798.1ºC at 760mmHg |
| Molecular Formula | C16H20N6O4 |
| Molecular Weight | 360.36800 |
| Flash Point | 436.5ºC |
| Exact Mass | 360.15500 |
| PSA | 163.39000 |
| LogP | 0.78560 |
| Vapour Pressure | 7.17E-27mmHg at 25°C |
| Index of Refraction | 1.744 |
| InChIKey | XKJDQMIBXVCPBQ-MEQWQQMJSA-N |
| SMILES | CCCCC#Cc1nc(N)c2ncn(C3OC(C(N)=O)C(O)C3O)c2n1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 6 | |
|---|---|
| DownStream 0 | |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Dose producing 30% decrease in blood pressure of anesthetized spontaneously hypertens...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL847715
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Name: Selectivity determined as Ratio of Ki(nM) of A1 adenosine receptor to the Ki(nM) of A...
Source: ChEMBL
Target: Adenosine receptors; A1 & A2
External Id: CHEMBL851957
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Name: Binding affinity against adenosine A2 receptor from rat striatum using [3H]NECA as ra...
Source: ChEMBL
Target: Adenosine receptor A2a
External Id: CHEMBL644778
|
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Name: Dose producing 10% decrease in heart rate of anesthetized spontaneously hypertensive ...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL847713
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Name: Binding affinity against adenosine A1 receptor from rat brain membranes using [3H]cyc...
Source: ChEMBL
Target: Adenosine receptor A1
External Id: CHEMBL639434
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This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the boiling point of (2S,3S,4R,5R)-5-(6-amino-2-hex-1-ynylpurin-9-yl)-3,4-dihydroxyoxolane-2-carboxamide? |
| A: Boiling point of (2S,3S,4R,5R)-5-(6-amino-2-hex-1-ynylpurin-9-yl)-3,4-dihydroxyoxolane-2-carboxamide is 798.1ºC at 760mmHg. |
| Q: What is the SMILES notation of (2S,3S,4R,5R)-5-(6-amino-2-hex-1-ynylpurin-9-yl)-3,4-dihydroxyoxolane-2-carboxamide? |
| A: SMILES notation of (2S,3S,4R,5R)-5-(6-amino-2-hex-1-ynylpurin-9-yl)-3,4-dihydroxyoxolane-2-carboxamide is CCCCC#Cc1nc(N)c2ncn(C3OC(C(N)=O)C(O)C3O)c2n1. |
| Q: What is the InChIKey of (2S,3S,4R,5R)-5-(6-amino-2-hex-1-ynylpurin-9-yl)-3,4-dihydroxyoxolane-2-carboxamide? |
| A: InChIKey of (2S,3S,4R,5R)-5-(6-amino-2-hex-1-ynylpurin-9-yl)-3,4-dihydroxyoxolane-2-carboxamide is XKJDQMIBXVCPBQ-MEQWQQMJSA-N. |
| Q: What is the LogP of (2S,3S,4R,5R)-5-(6-amino-2-hex-1-ynylpurin-9-yl)-3,4-dihydroxyoxolane-2-carboxamide? |
| A: LogP of (2S,3S,4R,5R)-5-(6-amino-2-hex-1-ynylpurin-9-yl)-3,4-dihydroxyoxolane-2-carboxamide is 0.78560. |
| Q: What is the Chinese name of 142103-07-9? |
| A: Chinese name of 142103-07-9 is 142103-07-9. |
| Q: What is the molecular formula of (2S,3S,4R,5R)-5-(6-amino-2-hex-1-ynylpurin-9-yl)-3,4-dihydroxyoxolane-2-carboxamide? |
| A: Molecular formula of (2S,3S,4R,5R)-5-(6-amino-2-hex-1-ynylpurin-9-yl)-3,4-dihydroxyoxolane-2-carboxamide is C16H20N6O4. |
| Q: What is the CAS number of (2S,3S,4R,5R)-5-(6-amino-2-hex-1-ynylpurin-9-yl)-3,4-dihydroxyoxolane-2-carboxamide? |
| A: CAS number of (2S,3S,4R,5R)-5-(6-amino-2-hex-1-ynylpurin-9-yl)-3,4-dihydroxyoxolane-2-carboxamide is 142103-07-9. |
| Q: What is the English name of (2S,3S,4R,5R)-5-(6-amino-2-hex-1-ynylpurin-9-yl)-3,4-dihydroxyoxolane-2-carboxamide? |
| A: The English name of (2S,3S,4R,5R)-5-(6-amino-2-hex-1-ynylpurin-9-yl)-3,4-dihydroxyoxolane-2-carboxamide is (2S,3S,4R,5R)-5-(6-amino-2-hex-1-ynylpurin-9-yl)-3,4-dihydroxyoxolane-2-carboxamide. |
| Q: What is the polar surface area (PSA) of (2S,3S,4R,5R)-5-(6-amino-2-hex-1-ynylpurin-9-yl)-3,4-dihydroxyoxolane-2-carboxamide? |
| A: Polar surface area (PSA) of (2S,3S,4R,5R)-5-(6-amino-2-hex-1-ynylpurin-9-yl)-3,4-dihydroxyoxolane-2-carboxamide is 163.39000. |
| Q: What is the molecular weight of (2S,3S,4R,5R)-5-(6-amino-2-hex-1-ynylpurin-9-yl)-3,4-dihydroxyoxolane-2-carboxamide? |
| A: Molecular weight of (2S,3S,4R,5R)-5-(6-amino-2-hex-1-ynylpurin-9-yl)-3,4-dihydroxyoxolane-2-carboxamide is 360.36800. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |