Basic information
- CAS
13089-45-7- Standard SMILES
CC1(C)OC2C(CO)OC(n3c(Br)nc4c(N)ncnc43)C2O1- InChIKey
GDKUQUVKGLVGBN-UHFFFAOYSA-N- Molecular formula
- C13H16BrN5O4
- Average molar mass
- 386.2 g/mol
- Monoisotopic mass
- 385.03857
Names & identifiers
- Preferred name
- [4-(6-Amino-8-bromopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
- IUPAC
- [4-(6-amino-8-bromopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
- English name
- 8-broMo-2',3'-O-(1-Methylethylidene)adenosine
- Molecular formula
- C13H16BrN5O4
- Molecular weight
- 386.2
Names & synonyms
13089-45-7NSC102239[4-(6-amino-8-bromopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanolOprea1_073680DTXSID60926959AKOS002981907NSC-1022398-broMo-2',3'-O-(1-Methylethylidene)adenosine8-Bromo-9-[2,3-O-(1-methylethylidene)pentofuranosyl]-9H-purin-6-amineAdenosine, 8-bromo-2',3'-O-(1-methylethylidene)-
Database identifiers
- CAS
13089-45-7- PubChem CID
- 265752
- DTXSID
DTXSID60926959
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 472
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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