Basic information
- CAS
34245-49-3- Standard SMILES
CNC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@@H]21- InChIKey
SJXNSGJHLDXAIO-QYVSTXNMSA-N- Molecular formula
- C14H20N6O3
- Average molar mass
- 320.35 g/mol
- Monoisotopic mass
- 320.1596885
Names & identifiers
- Preferred name
- 9-((3aR,4R,6R,6aR)-2,2-Dimethyl-6-((methylamino)methyl)tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-9H-purin-6-amine
- IUPAC
- 9-[(3aR,4R,6R,6aR)-2,2-dimethyl-6-(methylaminomethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-amine
- English name
- Adenosine, 5'-deoxy-5'-(MethylaMino)-2',3'-O-(1-Methylethylidene)-
- Molecular formula
- C14H20N6O3
- Molecular weight
- 320.35
Names & synonyms
34245-49-39-((3aR,4R,6R,6aR)-2,2-Dimethyl-6-((methylamino)methyl)tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-9H-purin-6-amineCID 110236419-[(3aR,4R,6R,6aR)-2,2-dimethyl-6-(methylaminomethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-amineSCHEMBL9104337DTXSID40452322SJXNSGJHLDXAIO-QYVSTXNMSA-N9-((3AR,4R,6R,6aR)-2,2-Dimethyl-6-((methylamino)methyl)-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-9H-purin-6-amineMFCD23131237AKOS016004010CS-W018382D77843
Show more names
Adenosine,51-deoxy-51-(methylamino)-21,31-O-(1-methylethylidene)-Adenosine, 5'-deoxy-5'-(MethylaMino)-2',3'-O-(1-Methylethylidene)-9-((3AR,4R,6R,6aR)-2,2-Dimethyl-6-((methylamino)methyl)-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)9-((3AR,4R,6R,6aR)-2,2-Dimethyl-6-((methylamino)methyl)-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-9H[(2R,3R,4R,5R)-4-acetoxy-2-[[bis(4-methoxyphenyl)phenylmethoxy]methyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]tetrahydrofuran-3-yl] acetate
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 452
Physicochemical properties
- Boiling point
- 537.5 · 537.5±60.0 °C(Predicted)
- Density
- 1.66 · 1.66±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 9.26 · 9.26±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers10 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
睿尚科创科技(天津)有限公司15038222995 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
成都诺维生物科技有限公司028-81458053 · [email protected] [email protected]
上海肯恩化学科技有限公司13120367189;18621755571 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
上海碧咸医药科技有限公司13816613772 · [email protected]
南京克罗托鲁宁医药科技有限公司13382066392
上海凯裕医药科技有限公司17317130613 · [email protected]
上海普霖斯医药科技有限公司021-68080657 15921562525 · [email protected]
Related reactions
4 records
Compound notes
Loading…