8-Aminoadenosine
Basic information
- CAS
3868-33-5- Standard SMILES
Nc1ncnc2c1nc(N)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O- InChIKey
DVGWFQILDUEEGX-UUOKFMHZSA-N- Molecular formula
- C10H14N6O4
- Average molar mass
- 282.26 g/mol
- Monoisotopic mass
- 282.10765295
Names & identifiers
- Preferred name
- 8-Aminoadenosine
- IUPAC
- (2R,3R,4S,5R)-2-(6,8-diaminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
- English name
- 8-Aminoadenosine
- Molecular formula
- C10H14N6O4
- Molecular weight
- 282.26
Names & synonyms
8-Aminoadenosine3868-33-5RefChem:5475808-Amino AdenosineAdenosine, 8-amino-(2R,3R,4S,5R)-2-(6,8-diaminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol8-amino-adenosine(2R,3R,4S,5R)-2-(6,8-diamino-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol8-Amino-D-adenosine3BHNSC 903948-NH2-Ado
Show more names
8-Amionadenosine8-Amonoadenosine8-AMINOADENOSINE USP/EP/BP6,8-DiaMino-9-β-D-ribofuranosyl- 9H-purine6,8-Diamino-9-beta-D-ribofuranosyl-9H-purine
9H-Purine, 6,8-diamino-9-beta-D-ribofuranosyl-24757-88-8adenosine-derived inhibitor, 4CHEMBL516197orb1690556SCHEMBL1145049BDBM32370GLXC-01957
Database identifiers
- CAS
3868-33-5- PubChem CID
- 96851
- ChEMBL
CHEMBL516197- EC Number
- 803-872-8
- Nikkaji
- J733.067G
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 363
Physicochemical properties
- Melting point
- 180 · 180-185°C dec.
- Boiling point
- 747.1 · 747.1±70.0 °C(Predicted)
- Density
- 2.25 · 2.25
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- 2 O: · H2O: soluble2mg/mL, clear (warmed)
- pka
- 13.07 · 13.07±0.70(Predicted)
- form
- powder
- color
- white to beige
- Water Solubility
- 2 O: · H2O: 2mg/mL, clear (warmed)
- InChI
- 1S/C10H14N6O4/c11-7-4-8(14-2-13-7)16(10(12)15-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,15)(H2,11,13,14)
- InChIKey
- DVGWFQILDUEEGX-UHFFFAOYSA-N
- SMILES
- [n]2(c3ncnc(c3nc2N)N)C1OC(C(C1O)O)CO
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 2811 6.1 / PGIII
- risk_code
- 25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 45
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301
- Hazard Classifications
- Acute Tox. 3 Oral
- Precautionary statements
- P301+P310
Chemistry & industry
Applications
UsesThe purine nucleoside analog
Suppliers
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Related reactions
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Compound notes
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