JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.

This is a demo store. No orders will be fulfilled.

Account

Settings

Language

྾

Home
Small Molecules & Compound Libraries
Metabolites
4,5,-IP₂ , CAS No.93060-87-8

Skip to the end of the images gallery

Skip to the beginning of the images gallery

4,5,-IP₂ , CAS No.93060-87-8

COA

Grade & Purity:

Moligand™

Cas Number: 93060-87-8
PubChem CID: 125004

In stock

Item Number

I607176

Grouped product items
SKU	Size	Availability	Price	Qty
I607176-25μg	25μg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,334.90
I607176-100μg	100μg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,334.90

Basic Description

Synonyms	4,5,-IP2 \| 1D-myo-inositol 4,5-bis(dihydrogen phosphate) \| C04064 \| 1D-myo-inositol 4,5-bisphosphate \| Q27073747 \| (1R,2R,3S,4R,5S,6S)-3,4,5,6-tetrahydroxycyclohexane-1,2-diyl bis[dihydrogen (phosphate)] \| PD048560 \| SCHEMBL9387601 \| BDBM50284584 \| D-myo-
Specifications & Purity	Moligand™
Grade	Moligand™

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Alcohols and polyols
      - Level5 Cyclic alcohols and derivatives
        Level6 Cyclitols and derivatives
        Level7 Inositol phosphates

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Alcohols and polyols
Intermediate Tree Nodes	Cyclic alcohols and derivatives - Cyclitols and derivatives
Direct Parent	Inositol phosphates
Alternative Parents	Monoalkyl phosphates Cyclohexanols Polyols Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Inositol phosphate - Monoalkyl phosphate - Cyclohexanol - Alkyl phosphate - Phosphoric acid ester - Organic phosphoric acid derivative - Secondary alcohol - Polyol - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as inositol phosphates. These are compounds containing a phosphate group attached to an inositol (or cyclohexanehexol) moiety.
External Descriptors	myo-inositol bisphosphate
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

Associated Targets(Human)

ITPR1 Tchem Inositol 1,4,5-trisphosphate receptor type 1 (23 Activities)

Discover Target: ITPR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	{[(1R,2S,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(phosphonooxy)cyclohexyl]oxy}phosphonic acid
INCHI	InChI=1S/C6H14O12P2/c7-1-2(8)4(10)6(18-20(14,15)16)5(3(1)9)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2+,3-,4-,5+,6+/m0/s1
InChIKey	MCKAJXMRULSUKI-UZAAGFTCSA-N
Smiles	O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]([C@H]([C@H]1O)O)O
Isomeric SMILES	[C@H]1([C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)O
PubChem CID	125004

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	340.120 g/mol
XLogP3	-5.900
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	4
Exact Mass	339.996 Da
Monoisotopic Mass	339.996 Da
Topological Polar Surface Area	214.000 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	388.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
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

Solution Calculators

Molarity Calculator

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

Mass

Concentration

Volume

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)

Volume 1 (V1)

Concentration 2 (C2)

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

Reviews

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.