≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1CCC(CC1)C2=CC(=C(C(=C2)C3CCCCC3)C4=CC5=CC=CC=C5C6=C4OP(=O)(OC7=C6C8=CC=CC=C8C=C7C9=C(C=C(C=C9C1CCCCC1)C1CCCCC1)C1CCCCC1)O)C1CCCCC1 |
|---|---|
| IUPAC Name | 13-hydroxy-10,16-bis(2,4,6-tricyclohexylphenyl)-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide |
| InChIKey | XDXHWHCIFIGZGE-UHFFFAOYSA-N |
| INCHI | 1S/C68H81O4P/c69-73(70)71-67-61(63-57(47-27-11-3-12-28-47)41-53(45-23-7-1-8-24-45)42-58(63)48-29-13-4-14-30-48)39-51-35-19-21-37-55(51)65(67)66-56-38-22-20-36-52(56)40-62(68(66)72-73)64-59(49-31-15-5-16-32-49)43-54(46-25-9-2-10-26-46)44-60(64)50-33-17-6-18-34-50/h19-22,35-50H,1-18,23-34H2,(H,69,70) |
| Isomeric SMILES | C1CCC(CC1)C2=CC(=C(C(=C2)C3CCCCC3)C4=CC5=CC=CC=C5C6=C4OP(=O)(OC7=C6C8=CC=CC=C8C=C7C9=C(C=C(C=C9C1CCCCC1)C1CCCCC1)C1CCCCC1)O)C1CCCCC1 |
| Molecular Weight | 993.3 |
| Reaxy-Rn | 23910204 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23910204&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Naphthalenes |
| Subclass | Phenylnaphthalenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylnaphthalenes |
| Alternative Parents | Aryl phosphodiesters Benzene and substituted derivatives Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylnaphthalene - Aryl phosphodiester - Aryl phosphate - Organic phosphoric acid derivative - Monocyclic benzene moiety - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylnaphthalenes. These are compounds containing a phenylnaphthalene skeleton, which consists of a naphthalene bound to a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 993.300 g/mol |
|---|---|
| XLogP3 | 23.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 8 |
| Exact Mass | 992.587 Da |
| Monoisotopic Mass | 992.587 Da |
| Topological Polar Surface Area | 55.800 Ų |
| Heavy Atom Count | 73 |
| Formal Charge | 0 |
| Complexity | 1600.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
