1H-Purine, 6,6'-(1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-diyl)bis(2,8-dichloro-
Basic information
- CAS
149246-40-2- Standard SMILES
Clc1nc(N2CCOCCOCCN(c3nc(Cl)nc4nc(Cl)[nH]c34)CCOCCOCC2)c2[nH]c(Cl)nc2n1- InChIKey
CDMZFVWNBWQQKX-UHFFFAOYSA-N- Molecular formula
- C22H26Cl4N10O4
- Average molar mass
- 636.3 g/mol
- Monoisotopic mass
- 634.08926
Names & identifiers
- Preferred name
- 1H-Purine, 6,6'-(1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-diyl)bis(2,8-dichloro-
- IUPAC
- 7,16-bis(2,8-dichloro-7H-purin-6-yl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
Names & synonyms
149246-40-21,4,10,13-Tetraoxa-7,16-diazacyclooctadecane, 7,16-bis(2,8-dichloro-1H-purin-6-yl)-1H-Purine, 6,6'-(1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-diyl)bis(2,8-dichloro-6,6'-(1,4,10,13-Tetraoxa-7,16-diazacyclooctadecane-7,16-diyl)bis(2,8-dichloro-1H-purine)DTXSID90164206RefChem:239482DTXCID90866976,6'-(1,4,10,13-Tetraoxa-7,16-diazacyclooctadecane-7,16-diyl)bis(2,8-dichloro-7H-purine)
Database identifiers
- CAS
149246-40-2- PubChem CID
- 3073472
- DTXSID
DTXSID90164206- Nikkaji
- J528.777D
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 2
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 694
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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