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Screening compounds

Orb1694702

Formula C21H41N5O11Molar mass 539.58 g/mol
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Orb1694702 chemical structure, C21H41N5O11
2D chemical structure

Key facts

What buyers check first

All properties
Formula
C21H41N5O11
Molar mass
539.58 g/mol
HS code
293219
Category
Screening compounds

What is Orb1694702?

Plain description, key identifiers and synonyms

Orb1694702 is a chemical substance with the molecular formula C21H41N5O11 and a molar mass of 539.58 g/mol. The IUPAC name is 4-amino-N-[5-amino-4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]butanamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-amino-N-[5-amino-4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]butanamide
Molecular formula
C21H41N5O11
InChIKey
CILQDQXYCHSCFU-UHFFFAOYSA-N
InChI
InChI=1S/C21H41N5O11/c22-3-1-2-11(28)26-8-4-7(24)18(36-20-12(25)16(32)14(30)9(5-23)34-20)19(13(8)29)37-21-17(33)15(31)10(6-27)35-21/h7-10,12-21,27,29-33H,1-6,22-25H2,(H,26,28)
SMILES (canonical and isomeric)
C1C(C(C(C(C1NC(=O)CCCN)O)OC2C(C(C(O2)CO)O)O)OC3C(C(C(C(O3)CN)O)O)N)N

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
539.58 g/molcalc.
Exact mass
539.2803 Dacalc.
LogP (octanol/water)
-6.76calc.
Topological polar surface area
291.5 Ųcalc.
Hydrogen bond donors
11calc.
Hydrogen bond acceptors
15calc.
Rotatable bonds
10calc.
Heavy atoms
37calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.95calc.
Formal charge
0calc.
Stereocentres
14calc.
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, C1CCC(OC2CCCCC2OC2CCCO2)OC1

C1CCC(OC2CCCCC2OC2CCCO2)OC1

3 rings, 19 atoms.

38 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.

Orb1694702 suppliers

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Orb1694702 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

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 Orb1694702 is traded under.

HS 2932.19Indicative HS code

Compounds containing an unfused furan ring (whether or not hydrogenated) in the…

World exports in 2024
$2.62B
−6.4% vs 2023, imports $2.56B
2019 to 2024
Top exporters
  1. Germany57.9%
  2. Italy11.5%
  3. China10.4%
Top importers
  1. Greece40.4%
  2. Japan16.3%
  3. Germany12.8%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Orb1694702 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb1694702, based on the data on this page

What is Orb1694702?

Orb1694702 is a chemical substance with the molecular formula C21H41N5O11 and a molar mass of 539.58 g/mol. The IUPAC name is 4-amino-N-[5-amino-4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]butanamide.

What is the molecular formula and weight of Orb1694702?

The molecular formula of Orb1694702 is C21H41N5O11 and its molar mass is 539.58 g/mol.

What is Orb1694702 used for?

Known uses and roles of Orb1694702 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Orb1694702 hazardous?

No GHS hazard classification for Orb1694702 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 Orb1694702?

Orb1694702 is usually classified under HS code 293219 (Compounds containing an unfused furan ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb1694702?

Post a free request on CompoundList and suppliers of Orb1694702 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb1694702?

Suppliers quote Orb1694702 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 Orb1694702

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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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