Adenosine,-3'-amino-3'-deoxy
Basic information
- CAS
2504-55-4- Standard SMILES
Nc1ncnc2c1ncn2C1OC(CO)C(N)C1O- InChIKey
ILDPUOKUEKVHIL-UHFFFAOYSA-N- Molecular formula
- C10H14N6O3
- Average molar mass
- 266.26 g/mol
- Monoisotopic mass
- 266.11273833
Names & identifiers
- Preferred name
- Adenosine,-3'-amino-3'-deoxy
- IUPAC
- 4-amino-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
- English name
- 3'-Amino-D-adenosine
- Molecular formula
- C10H14N6O3
- Molecular weight
- 266.26
Names & synonyms
ADENOSINE,-3'-AMINO-3'-DEOXY9-(3-amino-3-deoxypentofuranosyl)-9h-purin-6-amineSCHEMBL14263529DTXSID80947904(2R,3R,4S,5S)-4-amino-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-olNSC18192NSC98671NSC-18192NSC-9867126315-51-5PD199380F82778
Show more names
(2R,3R,4S,5S)-4-Amino-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3-olSpalgomycin3′,-AdA3'-Amino-D-adenosine3''-amino-d-adenosine3'-Deoxy-3'-aminoadenosine3'-amino-3'-deoxyadenosineAdenosine,3'-amino-3'-deoxy-3'-AMINO-3'-DEOXY-D-ADENOSINE
9-(3-Amino-3-deoxy-beta-D-ribofuranosyl)-adenine4-amino-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3-ol
Database identifiers
- CAS
2504-55-4、26315-51-5- PubChem CID
- 227044
- DTXSID
DTXSID80947904
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 334
Physicochemical properties
- Melting point
- 260 · 260-261 °C
- Boiling point
- 409.46 °C · 409.46°C (rough estimate)
- Density
- 1.2946 · 1.2946 (rough estimate)
- refractive index
- 1.7 · 1.7000 (estimate)
- storage temp.
- -20 °C · Store at -20°C
- form
- crystals
- pka
- 13.27 · 13.27±0.70(Predicted)
- color
- Off-white
- HS Code
- 2934999090 · 2934999090
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
- hs_code
- 2934999090
Chemistry & industry
Applications
Uses3'-Amino-3'-deoxyadenosine is an antitumor agent extracted from Helminthosporium[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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