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Chemistry & Biochemicals
Building Blocks
Organic Building Blocks
(S)-3,3'-Bis(2-naphthyl)-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl-2,2'-diyl Hydrogen Phosphate - 98%, high purity , CAS No.2249931-95-9
(S)-3,3'-Bis(2-naphthyl)-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl-2,2'-diyl Hydrogen Phosphate - 98%, high purity , CAS No.2249931-95-9
Basic Description
Specifications & Purity
≥98%
Storage Temp
Store at 2-8°C,Argon charged,Desiccated
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
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
Tetralins Naphthalenes Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aryl phosphodiester - Tetralin - Naphthalene - 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
Pubchem Sid
504770009
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504770009
IUPAC Name
13-hydroxy-10,16-dinaphthalen-2-yl-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaene 13-oxide
INCHI
InChI=1S/C40H33O4P/c41-45(42)43-39-35(31-19-17-25-9-1-3-11-27(25)21-31)23-29-13-5-7-15-33(29)37(39)38-34-16-8-6-14-30(34)24-36(40(38)44-45)32-20-18-26-10-2-4-12-28(26)22-32/h1-4,9-12,17-24H,5-8,13-16H2,(H,41,42)
InChIKey
UQNXHNASBPBCCD-UHFFFAOYSA-N
Smiles
C1CCC2=C3C4=C5CCCCC5=CC(=C4OP(=O)(OC3=C(C=C2C1)C6=CC7=CC=CC=C7C=C6)O)C8=CC9=CC=CC=C9C=C8
Isomeric SMILES
C1CCC2=C3C4=C5CCCCC5=CC(=C4OP(=O)(OC3=C(C=C2C1)C6=CC7=CC=CC=C7C=C6)O)C8=CC9=CC=CC=C9C=C8
Molecular Weight
608.7
Reaxy-Rn
23638745
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23638745&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
608.700 g/mol
XLogP3
10.800
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
608.212 Da
Monoisotopic Mass
608.212 Da
Topological Polar Surface Area
55.800 Ų
Heavy Atom Count
45
Formal Charge
0
Complexity
1010.000
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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J2313616