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DL-Glyceraldehyde 3-phosphate diethyl acetal barium salt , CAS No.93965-35-6

COA

Cas Number: 93965-35-6
Molecular Weight: 379.49
EC Number: 300-986-5
PubChem CID: 16219421

In stock

Item Number

D341915

Grouped product items
SKU	Size	Availability	Price	Qty
D341915-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$185.90
D341915-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$584.90

a derivative of DL-glyceraldehyde-3-phosphate

Basic Description

Synonyms	3,3-Diethoxy-1,2-propanediol 1-phosphate barium salt \| DL-GLYCERALDEHYDE-3-PHOSPHATE DIETHYLACETAL BARIUM SALT \| barium(2+);(3,3-diethoxy-2-hydroxypropyl) phosphate \| HY-131921 \| Barium 3,3-diethoxy-2-hydroxypropyl phosphate \| EINECS 300-986-5 \| DTXSID209
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

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Organic phosphoric acids and derivatives
Subclass	Phosphate esters
Intermediate Tree Nodes	Not available
Direct Parent	Alkyl phosphates
Alternative Parents	Secondary alcohols Acetals Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Alkyl phosphate - Secondary alcohol - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Alcohol - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as alkyl phosphates. These are organic compounds containing a phosphate group that is linked to one or more alkyl chains.
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

IUPAC Name	barium(2+);(3,3-diethoxy-2-hydroxypropyl) phosphate
INCHI	InChI=1S/C7H17O7P.Ba/c1-3-12-7(13-4-2)6(8)5-14-15(9,10)11;/h6-8H,3-5H2,1-2H3,(H2,9,10,11);/q;+2/p-2
InChIKey	OCALAXUAYOULKA-UHFFFAOYSA-L
Smiles	CCOC(C(COP(=O)([O-])[O-])O)OCC.[Ba+2]
Isomeric SMILES	CCOC(C(COP(=O)([O-])[O-])O)OCC.[Ba+2]
Molecular Weight	379.49
Reaxy-Rn	22453690
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22453690&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Solubility	Partially soluble in water (50 mg/ml).
Molecular Weight	379.490 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	379.961 Da
Monoisotopic Mass	379.961 Da
Topological Polar Surface Area	111.000 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	186.000
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	2

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