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TMP， disodium salt - ≥95%, high purity , CAS No.28749-63-5
Basic Description
Specifications & Purity
≥95%
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
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Terpene lactones
Intermediate Tree Nodes
Not available
Direct Parent
Terpene lactones
Alternative Parents
Phenyl phosphates Phthalides Aromatic monoterpenoids Benzofuranones Bicyclic monoterpenoids Phenylpropanes Cumenes Phenoxy compounds Meta cresols Toluenes 1-hydroxy-2-unsubstituted benzenoids Carboxylic acid esters Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Organic sodium salts Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Terpene lactone - Phenyl phosphate - Phthalide - Monoterpenoid - Bicyclic monoterpenoid - Benzofuranone - Isobenzofuranone - Aromatic monoterpenoid - P-cymene - Aryl phosphomonoester - Aryl phosphate - Phenylpropane - Cumene - Isocoumaran - M-cresol - Phenoxy compound - Toluene - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Phosphoric acid ester - Monocyclic benzene moiety - Organic phosphoric acid derivative - Benzenoid - Carboxylic acid ester - Lactone - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid derivative - Organic alkali metal salt - Oxacycle - Organic oxygen compound - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organic salt - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring.
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
INCHI
InChI=1S/C28H31O7P.2Na/c1-15(2)20-13-23(17(5)11-25(20)29)28(22-10-8-7-9-19(22)27(30)34-28)24-14-21(16(3)4)26(12-18(24)6)35-36(31,32)33;;/h7-16,29H,1-6H3,(H2,31,32,33);;/q;2*+1/p-2
InChIKey
SQUIXVJVXGLUIW-UHFFFAOYSA-L
Smiles
CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)OP(=O)([O-])[O-])C(C)C)C(C)C)O.[Na+].[Na+]
Isomeric SMILES
CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)OP(=O)([O-])[O-])C(C)C)C(C)C)O.[Na+].[Na+]
Molecular Weight
554.48 (anhydrous basis)
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
554.500 g/mol
XLogP3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
5
Exact Mass
554.145 Da
Monoisotopic Mass
554.145 Da
Topological Polar Surface Area
119.000 Ų
Heavy Atom Count
38
Formal Charge
0
Complexity
828.000
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
3
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