Dibenzo(d,p)(1,3,6,9,12,15,2)hexaoxaphosphacycloheptadecin, 6,7,9,10,12,13-hexahydro-20-tricyclo(3.3.1.1(sup 3,7))dec-1-yl-, 20-oxide
Basic information
- CAS
90275-27-7- Standard SMILES
O=P1(C23CC4CC(CC(C4)C2)C3)Oc2ccccc2OCCOCCOCCOc2ccccc2O1- InChIKey
RMZLRKVLXOWLQC-UHFFFAOYSA-N- Molecular formula
- C28H35O7P
- Average molar mass
- 514.5 g/mol
- Monoisotopic mass
- 514.21204045
Names & identifiers
- Preferred name
- Dibenzo(d,p)(1,3,6,9,12,15,2)hexaoxaphosphacycloheptadecin, 6,7,9,10,12,13-hexahydro-20-tricyclo(3.3.1.1(sup 3,7))dec-1-yl-, 20-oxide
- IUPAC
- 3-(1-adamantyl)-2,4,11,14,17,20-hexaoxa-3λ5-phosphatricyclo[19.4.0.05,10]pentacosa-1(25),5,7,9,21,23-hexaene 3-oxide
Names & synonyms
1-Adamantylphosphonyldibenzo-17-crown-6BRN 602711890275-27-7Dibenzo(d,p)(1,3,6,9,12,15,2)hexaoxaphosphacycloheptadecin, 6,7,9,10,12,13-hexahydro-20-tricyclo(3.3.1.1(sup 3,7))dec-1-yl-, 20-oxideDTXSID30238076RefChem:337223DTXCID5016056720-(Adamantan-1-yl)-6,7,9,10,12,13-hexahydro-20H-20lambda~5~-dibenzo[d,p][1,3,6,9,12,15,2]hexaoxaphosphacycloheptadecin-20-one
Database identifiers
- CAS
90275-27-7- PubChem CID
- 64549
- DTXSID
DTXSID30238076
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 72.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 696
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Compound notes
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