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Impurities and reference standards

Atrinositol

Also known as alpha-trinositol, D-myo-Inositol 1,2,6-tris(dihydrogen phosphate), (1R,2S,3R,4R,5S,6S)-4,5,6-trihydroxycyclohexane-1,2,3-triyl tris(dihydrogen phosphate)

CAS 28841-62-5Formula C6H15O15P3Molar mass 420.09 g/mol
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Atrinositol chemical structure, C6H15O15P3, CAS 28841-62-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
28841-62-5
Formula
C6H15O15P3
Molar mass
420.09 g/mol
HS code
291990
Category
Impurities and reference standards

What is Atrinositol?

Plain description, key identifiers and synonyms

Atrinositol is a chemical substance with the molecular formula C6H15O15P3 and a molar mass of 420.09 g/mol. Its CAS registry number is 28841-62-5. The IUPAC name is [(1R,2R,4S,5R)-2,3,4-trihydroxy-5,6-diphosphonooxycyclohexyl] dihydrogen phosphate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1R,2R,4S,5R)-2,3,4-trihydroxy-5,6-diphosphonooxycyclohexyl] dihydrogen phosphate
CAS number
28841-62-5
Molecular formula
C6H15O15P3
UNII
VYF3049W3N
InChIKey
GKDKOMAJZATYAY-GCVPSNMTSA-N
InChI
InChI=1S/C6H15O15P3/c7-1-2(8)4(19-22(10,11)12)6(21-24(16,17)18)5(3(1)9)20-23(13,14)15/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1?,2-,3+,4-,5-,6?/m1/s1
Canonical SMILES
O=P(O)(O)OC1C(O)C(O)C(O)C(OP(=O)(O)O)C1OP(=O)(O)O
Isomeric SMILES
[C@H]1([C@H](C([C@@H]([C@@H](C1O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O

Synonyms

  • alpha-trinositol
  • D-myo-Inositol 1,2,6-tris(dihydrogen phosphate)
  • (1R,2S,3R,4R,5S,6S)-4,5,6-trihydroxycyclohexane-1,2,3-triyl tris(dihydrogen phosphate)
  • 1D-myo-inositol 1,2,6-trisphosphate
  • PP 56
  • Trinositol
  • I+/--Trinositol
  • Myo-Inositol Impurity 4
  • D-myo-Inositol-1,2,6-triphosphate
  • D-myo-inositol-1.2.6-triphosphate
  • [(1R,2R,4S,5R)-2,3,4-trihydroxy-5,6-diphosphonooxycyclohexyl] dihydrogen phosphate
  • D-myo-Inositol-1,2,6-tris(hydrogen phosphate)
  • [(1R,2S,4R,5R)-2,3,4-trihydroxy-5,6-diphosphonooxycyclohexyl] dihydrogen phosphate
  • (1R,2S,3R,4R,5S,6S)-4,5,6-Trihydroxycyclohexane-1,2,3-triyl tris[dihydrogen (phosphate)]

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
420.09 g/molcalc.
Exact mass
419.9624 Dacalc.
LogP (octanol/water)
-3.48calc.
Topological polar surface area
261 Ųcalc.
Hydrogen bond donors
9calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
6calc.
Heavy atoms
24calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
1calc.
Formal charge
0calc.
Stereocentres
6calc.
Lipinski rule of five
Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, C1CCCCC1

C1CCCCC1

1 ring, 6 atoms, the Cyclohexane ring system.

24,737 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Atrinositol suppliers

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Atrinositol price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Atrinositol is traded under.

HS 2919.90Indicative HS code

Phosphoric, and their salts, including lactophosphates, their halogenated, sulphonated, nitrated…

World exports in 2024
$940M
−0.7% vs 2023, imports $863M
2019 to 2024
Top exporters
  1. China55.6%
  2. Germany10.6%
  3. Italy6.2%
Top importers
  1. United States15.8%
  2. South Korea10.1%
  3. Germany6.4%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Atrinositol is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Atrinositol, based on the data on this page

What is Atrinositol?

Atrinositol is a chemical substance with the molecular formula C6H15O15P3 and a molar mass of 420.09 g/mol. Its CAS registry number is 28841-62-5. The IUPAC name is [(1R,2R,4S,5R)-2,3,4-trihydroxy-5,6-diphosphonooxycyclohexyl] dihydrogen phosphate.

What is the CAS number of Atrinositol?

The CAS registry number of Atrinositol is 28841-62-5.

What is the molecular formula and weight of Atrinositol?

The molecular formula of Atrinositol is C6H15O15P3 and its molar mass is 420.09 g/mol.

Is Atrinositol hazardous?

No GHS hazard classification for Atrinositol is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Atrinositol?

Atrinositol is usually classified under HS code 291990 (Phosphoric esters and their salts, including lactophosphates, their halogenated…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Atrinositol?

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What is the price of Atrinositol?

Suppliers quote Atrinositol on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Atrinositol

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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