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Inositol pentakisphosphate , CAS No.25663-09-6
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Storage
Room temperature
Shipped In
Normal
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Why this grade
for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Normal Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
Storage
Room temperature
Shipped In
Normal
Names and Identifiers
| Canonical Smiles | C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O |
|---|---|
| IUPAC Name | (2-hydroxy-3,4,5,6-tetraphosphonooxycyclohexyl) dihydrogen phosphate |
| InChIKey | CTPQAXVNYGZUAJ-UHFFFAOYSA-N |
| INCHI | 1S/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22) |
| Molecular Weight | 580.06 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
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
- Level6 Cyclitols and derivatives
- Level5 Cyclic alcohols and derivatives
- Subclass Alcohols and polyols
- Class Organooxygen compounds
- Superclass Organic oxygen compounds
| 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 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 - 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 |
3D Structure
Interactive Chemical Structure Model
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 580.060 g/mol |
|---|---|
| XLogP3 | -9.200 |
| Hydrogen Bond Donor Count | 11 |
| Hydrogen Bond Acceptor Count | 21 |
| Rotatable Bond Count | 10 |
| Exact Mass | 579.895 Da |
| Monoisotopic Mass | 579.895 Da |
| Topological Polar Surface Area | 354.000 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 824.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 4 |
| 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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