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Heterocyclic compounds

Orb2815622

Formula C34H56MnN6O16Molar mass 859.79 g/mol
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Orb2815622 chemical structure, C34H56MnN6O16
2D chemical structure

Key facts

What buyers check first

All properties
Formula
C34H56MnN6O16
Molar mass
859.79 g/mol
HS code
293399
Category
Heterocyclic compounds

What is Orb2815622?

Plain description, key identifiers and synonyms

Orb2815622 is a chemical substance with the molecular formula C34H56MnN6O16 and a molar mass of 859.79 g/mol. The IUPAC name is 2-[9-[1-carboxylato-4-oxo-4-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]butyl]-6-methyl-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-3-yl]-5-oxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoate, manganese(2+).

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[9-[1-carboxylato-4-oxo-4-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]butyl]-6-methyl-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-3-yl]-5-oxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoate, manganese(2+)
Molecular formula
C34H56MnN6O16
InChI
InChI=1S/C34H58N6O16.Mn/c1-38-9-11-39(21(33(53)54)5-7-27(47)35-13-23(43)29(49)31(51)25(45)17-41)15-19-3-2-4-20(37-19)16-40(12-10-38)22(34(55)56)6-8-28(48)36-14-24(44)30(50)32(52)26(46)18-42;/h2-4,21-26,29-32,41-46,49-52H,5-18H2,1H3,(H,35,47)(H,36,48)(H,53,54)(H,55,56);/q;+2/p-2/t21?,22?,23-,24-,25+,26+,29+,30+,31+,32+;/m0./s1
Canonical SMILES
CN1CCN(C(CCC(=O)NCC(O)C(O)C(O)C(O)CO)C(=O)[O-])Cc2cccc(n2)CN(C(CCC(=O)NCC(O)C(O)C(O)C(O)CO)C(=O)[O-])CC1.[Mn+2]
Isomeric SMILES
CN1CCN(CC2=NC(=CC=C2)CN(CC1)C(CCC(=O)NC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)C(=O)[O-])C(CCC(=O)NC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)C(=O)[O-].[Mn+2]

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
859.79 g/molcalc.
Exact mass
859.3133 Dacalc.
LogP (octanol/water)
-9.47calc.
Topological polar surface area
363.4 Ųcalc.
Hydrogen bond donors
12calc.
Hydrogen bond acceptors
20calc.
Rotatable bonds
22calc.
Heavy atoms
57calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.74calc.
Formal charge
0calc.
Stereocentres
10calc.
Components
2calc.
Lipinski rule of five
Fails (3 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, c1cc2nc(c1)CNCCNCCNC2

c1cc2nc(c1)CNCCNCCNC2

2 rings, 15 atoms, the 3,6,9,15-Tetraazabicyclo(9.3.1)pentadeca-1(15),11,13-triene ring system.

16 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.

Orb2815622 suppliers

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Orb2815622 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 Orb2815622 is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

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

The HS code shown for Orb2815622 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb2815622, based on the data on this page

What is Orb2815622?

Orb2815622 is a chemical substance with the molecular formula C34H56MnN6O16 and a molar mass of 859.79 g/mol.

What is the molecular formula and weight of Orb2815622?

The molecular formula of Orb2815622 is C34H56MnN6O16 and its molar mass is 859.79 g/mol.

Is Orb2815622 hazardous?

No GHS hazard classification for Orb2815622 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 Orb2815622?

Orb2815622 is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb2815622?

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What is the price of Orb2815622?

Suppliers quote Orb2815622 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 Orb2815622

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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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