1H-Purine, 6,6'-(1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-diyl)bis(2,8-dichloro-
Basic information
- CAS
149246-39-9- Standard SMILES
Clc1nc(N2CCOCCOCCN(c3nc(Cl)nc4nc(Cl)[nH]c34)CCOCC2)c2[nH]c(Cl)nc2n1- InChIKey
LYLDCKZGIIHHIX-UHFFFAOYSA-N- Molecular formula
- C20H22Cl4N10O3
- Average molar mass
- 592.3 g/mol
- Monoisotopic mass
- 590.063045
Names & identifiers
- Preferred name
- 1H-Purine, 6,6'-(1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-diyl)bis(2,8-dichloro-
- IUPAC
- 7,13-bis(2,8-dichloro-7H-purin-6-yl)-1,4,10-trioxa-7,13-diazacyclopentadecane
Names & synonyms
149246-39-91,4,10-Trioxa-7,13-diazacyclopentadecane, 7,13-bis(2,8-dichloro-1H-purin-6-yl)-1H-Purine, 6,6'-(1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-diyl)bis(2,8-dichloro-6,6'-(1,4,10-Trioxa-7,13-diazacyclopentadecane-7,13-diyl)bis(2,8-dichloro-1H-purine)DTXSID30164205RefChem:239484DTXCID40866966,6'-(1,4,10-Trioxa-7,13-diazacyclopentadecane-7,13-diyl)bis(2,8-dichloro-7H-purine)
Database identifiers
- CAS
149246-39-9- PubChem CID
- 3073471
- DTXSID
DTXSID30164205- Nikkaji
- J528.776F
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 2
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 669
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Compound notes
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