Basic Description

Synonyms	AC-24644 \| [3-(3'-methoxyspiro[adamantane-2,4'-dioxetane]-3'-yl)phenyl] dihydrogen phosphate \| Lumi-Phos Plus \| (3-{3'-methoxyspiro[adamantane-2,2'-[1,4]dioxetan]-3'-yl}phenoxy)phosphonic acid \| 4-Methoxy-4-(3-phosphatephenyl)spiro(1,2-dioxetane)-3,2'-ada
Specifications & Purity	≥99%
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Organic phosphoric acids and derivatives
    - Subclass Phosphate esters
      - Level5 Aryl phosphates
        Level6 Aryl phosphomonoesters
        Level7 Phenyl phosphates

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Organic phosphoric acids and derivatives
Subclass	Phosphate esters
Intermediate Tree Nodes	Aryl phosphates - Aryl phosphomonoesters
Direct Parent	Phenyl phosphates
Alternative Parents	Benzylethers Phenoxy compounds Dioxetanes Dialkyl peroxides Oxacyclic compounds Organooxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Phenyl phosphate - Benzylether - Phenoxy compound - Benzenoid - Monocyclic benzene moiety - Dialkyl peroxide - 1,2-dioxetane - 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 phenyl phosphates. These are aromatic organooxygen compounds containing a phosphate group, which is O-esterified with a phenyl group.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504753912
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504753912
IUPAC Name	[3-(3'-methoxyspiro[adamantane-2,4'-dioxetane]-3'-yl)phenyl] dihydrogen phosphate
INCHI	InChI=1S/C18H23O7P/c1-22-18(13-3-2-4-16(10-13)23-26(19,20)21)17(24-25-18)14-6-11-5-12(8-14)9-15(17)7-11/h2-4,10-12,14-15H,5-9H2,1H3,(H2,19,20,21)
InChIKey	XYIPYISRNJUPBA-UHFFFAOYSA-N
Smiles	COC1(C2(C3CC4CC(C3)CC2C4)OO1)C5=CC(=CC=C5)OP(=O)(O)O
Isomeric SMILES	COC1(C2(C3CC4CC(C3)CC2C4)OO1)C5=CC(=CC=C5)OP(=O)(O)O
Molecular Weight	382.35
Reaxy-Rn	45588697
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=45588697&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot Number	Certificate Type	Date	Item
C2306437	Certificate of Analysis	Nov 12, 2022	S398677
C2306450	Certificate of Analysis	Nov 12, 2022	S398677
C2306104	Certificate of Analysis	Nov 12, 2022	S398677
C2306102	Certificate of Analysis	Nov 12, 2022	S398677
C2306435	Certificate of Analysis	Nov 12, 2022	S398677

Chemical and Physical Properties

Refractive Index	1.618
Flash Point(°C)	285.6ºC
Boil Point(°C)	548.6ºC at 760 mmHg
Molecular Weight	382.300 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	382.118 Da
Monoisotopic Mass	382.118 Da
Topological Polar Surface Area	94.500 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	591.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Jie-Xian Dong, Zhen-Feng Li, Hong-Tao Lei, Yuan-Ming Sun, Frédéric Ducancel, Zhen-Lin Xu, Jean-Claude Boulain, Jin-Yi Yang, Yu-Dong Shen, Hong Wang. (2012) Development of a single-chain variable fragment-alkaline phosphatase fusion protein and a sensitive direct competitive chemiluminescent enzyme immunoassay for detection of ractopamine in pork. ANALYTICA CHIMICA ACTA, 736 (85).

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

=

Concentration

x

Volume

x

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

x

Volume 1 (V1)

=

Concentration 2 (C2)

x

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

=

Mass (in vial)

÷

Desired Reconstitution Concentration

SKU	Size	Availability	Price
S398677-5mg	5mg	3	$414.90
S398677-10mg	10mg	3	$593.90
S398677-25mg	25mg	3	$1,336.90
S398677-50mg	50mg	3	$1,781.90
S398677-100mg	100mg	3	$2,493.90

3-(2'-Spiroadamantane)-4-methoxy-4-(3''-phosphoryloxy)phenyl-1,2-dioxetane - 99%, high purity , CAS No.122341-56-4