Mearnsitrin

CAT: 1459-CS-BT-00432Size: 1 EachDry Ice: NoHazardous: No

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CAT#:1459-CS-BT-00432Size:1 Each

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Description

Mearnsitrin is listed under Pesticide Standards and is intended for analytical research, quality control and pharmaceutical reference standard applications. The product is supplied by Clearsynth under CAT No. CS-BT-00432. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.

Overview

Useful research chemical for a range of applications.

CAS Number

30484-88-9

Synonyms

Mearnsitrin

Molecular Formula

C 22 H 22 O 12

Molecular Weight

478.40

Additionnal Information

Mearnsitrin is supplied with detailed characterization data compliant with regulatory guideline. Mearnsitrin can be used for analytical method development, method validation (AMV), Quality Control (QC), ANDA-related analytical work, and commercial pharmaceutical research applications.

Storage Conditions

Refer MSDS for complete information.

Applications Notes

Useful research chemical for a range of applications.

HSN Code

38229010

Hazard Compound

Refer MSDS for complete information.

Chemical Information

Mearnsitrin

Mearnsitrin is a glycoside and a member of flavonoids.

CAS Number	30484-88-9
PubChem CID	6918652
IUPAC Name	2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
Molecular Formula	C22H22O12
Molecular Weight	478.4
XLogP	0.8
Topological Polar Surface Area	196
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	4
Heavy Atom Count	34
Formal Charge	0
Complexity	776

SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C(=C4)O)OC)O)O)O)O

InChI

InChI=1S/C22H22O12/c1-7-15(27)17(29)18(30)22(32-7)34-21-16(28)14-10(24)5-9(23)6-13(14)33-19(21)8-3-11(25)20(31-2)12(26)4-8/h3-7,15,17-18,22-27,29-30H,1-2H3/t7-,15-,17+,18+,22-/m0/s1

InChIKey

NAQNISJXKDSYJD-DHWIRCOFSA-N

Chemical Structure

2D Structure

CAS: 30484-88-9

CID: 6918652

Formula: C22H22O12

MW: 478.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	478.4
XLogP3	0.8
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	4
Exact Mass	478.11112613
Monoisotopic Mass	478.11112613
Topological Polar Surface Area	196 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	776
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
TMA0716-01	Mearnsitrin

Mearnsitrin

Chemical Information

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