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1,5,-IP₂ , CAS No.I607071

COA

Grade & Purity:

Moligand™

PubChem CID: 128419

In stock

Item Number

I607071

Grouped product items
SKU	Size	Availability	Price	Qty
I607071-25μg	25μg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,334.90
I607071-100μg	100μg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,334.90

Basic Description

Synonyms	DTXSID60869397 \| Inositol 1,3-diphosphate \| C04062 \| Q27102919 \| D-myo-Inositol 1,3-bisphosphate \| [(1R,2S,4R,5S)-2,3,4,6-tetrahydroxy-5-phosphonooxycyclohexyl] dihydrogen phosphate \| GTPL5099 \| CHEBI:18225 \| Inositol 1,3-bisphosphate \| SCHEMBL9872231 \| (
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	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	[(1R,2S,4R,5S)-2,3,4,6-tetrahydroxy-5-phosphonooxycyclohexyl] dihydrogen phosphate
INCHI	InChI=1S/C6H14O12P2/c7-1-2(8)5(17-19(11,12)13)4(10)6(3(1)9)18-20(14,15)16/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1?,2-,3+,4?,5+,6-
InChIKey	PUVHMWJJTITUGO-WJPCITMWSA-N
Smiles	OC1[C@H](OP(=O)(O)O)[C@@H](O)C([C@H]([C@@H]1OP(=O)(O)O)O)O
Isomeric SMILES	[C@H]1([C@H](C([C@H]([C@@H](C1O)O)OP(=O)(O)O)O)OP(=O)(O)O)O
PubChem CID	128419

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	390.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
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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