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Heterocyclic compounds

D-Mannitol hexanicotinate

Also known as [(2R,3R,4R,5R)-2,3,4,5,6-pentakis(pyridine-3-carbonyloxy)hexyl] pyridine-3-carboxylate, D-Mannitol, 1,2,3,4,5,6-hexa-3-pyridinecarboxylate, Mannitol nicotinate

CAS 15596-27-7Formula C42H32N6O12Molar mass 812.75 g/molEC 239-676-9
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D-Mannitol hexanicotinate chemical structure, C42H32N6O12, CAS 15596-27-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
15596-27-7
Formula
C42H32N6O12
Molar mass
812.75 g/mol
EC number
239-676-9
HS code
293339
Category
Heterocyclic compounds

What is D-Mannitol hexanicotinate?

Plain description, key identifiers and synonyms

D-Mannitol hexanicotinate is a chemical substance with the molecular formula C42H32N6O12 and a molar mass of 812.75 g/mol. Its CAS registry number is 15596-27-7. The IUPAC name is [(2R,3R,4R,5R)-2,3,4,5,6-pentakis(pyridine-3-carbonyloxy)hexyl] pyridine-3-carboxylate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(2R,3R,4R,5R)-2,3,4,5,6-pentakis(pyridine-3-carbonyloxy)hexyl] pyridine-3-carboxylate
CAS number
15596-27-7
EC number
239-676-9
Molecular formula
C42H32N6O12
UNII
RT4LET4FTS
InChIKey
IMRLNFKFNFLWQF-MGXDLYCJSA-N
InChI
InChI=1S/C42H32N6O12/c49-37(27-7-1-13-43-19-27)55-25-33(57-39(51)29-9-3-15-45-21-29)35(59-41(53)31-11-5-17-47-23-31)36(60-42(54)32-12-6-18-48-24-32)34(58-40(52)30-10-4-16-46-22-30)26-56-38(50)28-8-2-14-44-20-28/h1-24,33-36H,25-26H2/t33-,34-,35-,36-/m1/s1
Canonical SMILES
O=C(OCC(OC(=O)c1cccnc1)C(OC(=O)c1cccnc1)C(OC(=O)c1cccnc1)C(COC(=O)c1cccnc1)OC(=O)c1cccnc1)c1cccnc1
Isomeric SMILES
C1=CC(=CN=C1)C(=O)OC[C@H]([C@H]([C@@H]([C@@H](COC(=O)C2=CN=CC=C2)OC(=O)C3=CN=CC=C3)OC(=O)C4=CN=CC=C4)OC(=O)C5=CN=CC=C5)OC(=O)C6=CN=CC=C6

Synonyms

  • [(2R,3R,4R,5R)-2,3,4,5,6-pentakis(pyridine-3-carbonyloxy)hexyl] pyridine-3-carboxylate
  • D-Mannitol, 1,2,3,4,5,6-hexa-3-pyridinecarboxylate
  • Mannitol nicotinate
  • Mannitol, hexanicotinate, d-
  • D-Mannitol, hexa-3-pyridinecarboxylate
  • 1,2,3,4,5,6-Hexa-O-(pyridine-3-carbonyl)-D-mannitol

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
812.75 g/molcalc.
Exact mass
812.2078 Dacalc.
LogP (octanol/water)
3.97calc.
Topological polar surface area
235.1 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
18calc.
Rotatable bonds
17calc.
Heavy atoms
60calc.
Rings
6calc.
Aromatic rings
6calc.
Fraction sp3 carbons
0.14calc.
Formal charge
0calc.
Stereocentres
4calc.
Lipinski rule of five
Fails (2 violations)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, O=C(OCC(OC(=O)c1cccnc1)C(OC(=O)c1cccnc1)C(OC(=O)c1cccnc1)C(COC(=O)c1cccnc1)OC(=O)c1cccnc1)c1cccnc1

O=C(OCC(OC(=O)c1cccnc1)C(OC(=O)c1cccnc1)C(OC(=O)c1cccnc1)C(COC(=O)c1cccnc1)OC(=O)c1cccnc1)c1cccnc1

6 rings, 60 atoms.

2 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.

D-Mannitol hexanicotinate suppliers

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D-Mannitol hexanicotinate 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 D-Mannitol hexanicotinate is traded under.

HS 2933.39Indicative HS code

Heterocyclic compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure…

World exports in 2024
$9.16B
−17.9% vs 2023, imports $10.6B
2019 to 2024
Top exporters
  1. China21.5%
  2. India * partner reported12.3%
  3. Ireland11.6%
Top importers
  1. Germany14.2%
  2. United States12.8%
  3. Brazil10.1%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about D-Mannitol hexanicotinate, based on the data on this page

What is D-Mannitol hexanicotinate?

D-Mannitol hexanicotinate is a chemical substance with the molecular formula C42H32N6O12 and a molar mass of 812.75 g/mol. Its CAS registry number is 15596-27-7. The IUPAC name is [(2R,3R,4R,5R)-2,3,4,5,6-pentakis(pyridine-3-carbonyloxy)hexyl] pyridine-3-carboxylate.

What is the CAS number of D-Mannitol hexanicotinate?

The CAS registry number of D-Mannitol hexanicotinate is 15596-27-7.

What is the molecular formula and weight of D-Mannitol hexanicotinate?

The molecular formula of D-Mannitol hexanicotinate is C42H32N6O12 and its molar mass is 812.75 g/mol.

Is D-Mannitol hexanicotinate hazardous?

No GHS hazard classification for D-Mannitol hexanicotinate 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 D-Mannitol hexanicotinate?

D-Mannitol hexanicotinate is usually classified under HS code 293339 (Compounds containing an unfused pyridine ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy D-Mannitol hexanicotinate?

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What is the price of D-Mannitol hexanicotinate?

Suppliers quote D-Mannitol hexanicotinate 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 D-Mannitol hexanicotinate

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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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