Basic information
- CAS
616232-22-5- Standard SMILES
COc1ccc(C(OC[C@@H]2C[C@@H](OC(=O)CCC(N)=O)[C@H](n3cnc4c(NC(=O)C(C)C)ncnc43)O2)(c2ccccc2)c2ccc(OC)cc2)cc1- InChIKey
NBPCIXRYWIQRCR-ZLSQYAPRSA-N- Molecular formula
- C39H42N6O8
- Average molar mass
- 722.8 g/mol
- Monoisotopic mass
- 722.30641232
Names & identifiers
- Preferred name
- Adenosine, 5a(2)-O-[bis(4-methoxyphenyl)phenylmethyl]-3a(2)-deoxy-N-(2-methyl-1-oxopropyl)-, 2a(2)-(4-amino-4-oxobutanoate)
- IUPAC
- [(2R,3R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-2-[6-(2-methylpropanoylamino)purin-9-yl]oxolan-3-yl] 4-amino-4-oxobutanoate
Names & synonyms
DTXSID201106829616232-22-5Adenosine, 5a(2)-O-[bis(4-methoxyphenyl)phenylmethyl]-3a(2)-deoxy-N-(2-methyl-1-oxopropyl)-, 2a(2)-(4-amino-4-oxobutanoate)
Database identifiers
- CAS
616232-22-5- PubChem CID
- 165367263
- DTXSID
DTXSID201106829
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 179 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 16
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 1,180
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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