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Didymin - 10mM in DMSO, high purity , CAS No.14259-47-3(DMSO)

COA

Grade & Purity:

10mM in DMSO

Cas Number: 14259-47-3(DMSO)
Molecular Weight: 594.56
Beilstein Registry Number: 1361217
EC Number: 238-139-6
MDL number: MFCD00151177
PubChem CID: 16760075

In stock

Item Number

D580372

Grouped product items
SKU	Size	Availability	Price	Qty
D580372-1ml	1ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$350.90

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Compound libraries (12325)

Basic Description

Synonyms	Didymin \| 14259-47-3 \| Neoponcirin \| Isosakuranetin-7-O-rutinoside \| Didymine \| 02Q5OS3TU3 \| Isosakuranetin-7-beta-rutinoside \| EINECS 238-139-6 \| Isosakuranetin 7-rutinoside \| UNII-02Q5OS3TU3 \| CITRIFOLIOL-7-O-RUTINOSIDE \| (2S)-5-hydroxy-2-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R
Specifications & Purity	10mM in DMSO
Storage Temp	Store at -80°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 Phenylpropanoids and polyketides
  - Class Flavonoids
    - Subclass Flavonoid glycosides
      - Level5 Flavonoid O-glycosides
        Level6 Flavonoid-7-O-glycosides

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Flavonoids
Subclass	Flavonoid glycosides
Intermediate Tree Nodes	Flavonoid O-glycosides
Direct Parent	Flavonoid-7-O-glycosides
Alternative Parents	4'-O-methylated flavonoids 5-hydroxyflavonoids Flavanones Phenolic glycosides Fatty acyl glycosides of mono- and disaccharides Alkyl glycosides Chromones O-glycosyl compounds Disaccharides Phenoxy compounds Anisoles Aryl alkyl ketones Methoxybenzenes 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Oxanes Vinylogous acids Secondary alcohols Polyols Acetals Oxacyclic compounds Aldehydes Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Flavonoid-7-o-glycoside - 4p-methoxyflavonoid-skeleton - 5-hydroxyflavonoid - Flavanone - Hydroxyflavonoid - Flavan - Phenolic glycoside - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - Alkyl glycoside - Chromone - Disaccharide - Glycosyl compound - O-glycosyl compound - Chromane - Benzopyran - 1-benzopyran - Aryl ketone - Phenol ether - Aryl alkyl ketone - Anisole - Methoxybenzene - Phenoxy compound - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Benzenoid - Oxane - Fatty acyl - Monocyclic benzene moiety - Vinylogous acid - Secondary alcohol - Ketone - Ether - Oxacycle - Organoheterocyclic compound - Polyol - Acetal - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Alcohol - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position.
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	(2S)-5-hydroxy-2-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one
INCHI	InChI=1S/C28H34O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-29,31-36H,9-10H2,1-2H3/t11-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
InChIKey	RMCRQBAILCLJGU-HIBKWJPLSA-N
Smiles	CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)OC)O)O)O)O)O)O)O
Isomeric SMILES	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC=C(C=C5)OC)O)O)O)O)O)O)O
Molecular Weight	594.56
Beilstein	1361217
Reaxy-Rn	38014571
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=38014571&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Solubility	0.1 mg/ml in in ethanol & PBS (pH 7.2); 10 mg/ml in DMF; 5 mg/ml in DMSO;
Molecular Weight	594.600 g/mol
XLogP3	-0.700
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	7
Exact Mass	594.195 Da
Monoisotopic Mass	594.195 Da
Topological Polar Surface Area	214.000 Å²
Heavy Atom Count	42
Formal Charge	0
Complexity	900.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	11
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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