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Chemistry & Biochemicals
Ligand
Chiral Ligands
(11aS)-10,11,12,13-Tetrahydro-5-hydroxy-3,7-di-1-naphthalenyl-5-oxide-diindeno[7,1-de:1'',7''-fg] [1,3,2]dioxaphosphocin 98%,(99% ee) - 98%,99% ee, high purity , CAS No.1258327-08-0
(11aS)-10,11,12,13-Tetrahydro-5-hydroxy-3,7-di-1-naphthalenyl-5-oxide-diindeno[7,1-de:1'',7''-fg] [1,3,2]dioxaphosphocin 98%,(99% ee) - 98%,99% ee, high purity , CAS No.1258327-08-0
Basic Description
Synonyms
1297613-73-0 | 12-Hydroxy-1,10-di(naphthalen-1-yl)-4,5,6,7-tetrahydrodiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine 12-oxide | (11aS)-12-Hydroxy-1,10-di(naphthalen-1-yl)-4,5,6,7-tetrahydrodiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine 12-oxide | 12-hy
Specifications & Purity
≥98%,≥99%(ee)
Legal Information
Sold in collaboration with Daicel for research purposes only.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Organic phosphoric acids and derivatives
Subclass
Phosphate esters
Intermediate Tree Nodes
Aryl phosphates
Direct Parent
Aryl phosphodiesters
Alternative Parents
Naphthalenes Indanes Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aryl phosphodiester - Naphthalene - Indane - Benzenoid - 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 aryl phosphodiesters. These are aryl phosphates in which the phosphate is esterified at exactly two positions.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
12-hydroxy-1,10-dinaphthalen-1-yl-4,5,6,7-tetrahydroiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine 12-oxide
INCHI
InChI=1S/C37H27O4P/c38-42(39)40-35-31(29-13-5-9-23-7-1-3-11-27(23)29)17-15-25-19-21-37(33(25)35)22-20-26-16-18-32(36(41-42)34(26)37)30-14-6-10-24-8-2-4-12-28(24)30/h1-18H,19-22H2,(H,38,39)
InChIKey
UFZPMUOQEHOLDQ-UHFFFAOYSA-N
Smiles
C1CC23CCC4=C2C(=C(C=C4)C5=CC=CC6=CC=CC=C65)OP(=O)(OC7=C(C=CC1=C37)C8=CC=CC9=CC=CC=C98)O
Isomeric SMILES
C1CC23CCC4=C2C(=C(C=C4)C5=CC=CC6=CC=CC=C65)OP(=O)(OC7=C(C=CC1=C37)C8=CC=CC9=CC=CC=C98)O
PubChem CID
50918014
Molecular Weight
566.6
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
>300°C
Molecular Weight
566.600 g/mol
XLogP3
9.300
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
566.165 Da
Monoisotopic Mass
566.165 Da
Topological Polar Surface Area
55.800 Ų
Heavy Atom Count
42
Formal Charge
0
Complexity
982.000
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
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