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Screening compounds

Orb3023971

CAS 61430-99-7Formula C23H45N5O13Molar mass 599.64 g/mol
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Orb3023971 chemical structure, C23H45N5O13, CAS 61430-99-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
61430-99-7
Formula
C23H45N5O13
Molar mass
599.64 g/mol
HS code
293219
Category
Screening compounds

What is Orb3023971?

Plain description, key identifiers and synonyms

Orb3023971 is a chemical substance with the molecular formula C23H45N5O13 and a molar mass of 599.64 g/mol. Its CAS registry number is 61430-99-7. The IUPAC name is 5-amino-2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-amino-2-(aminomethyl)-6-[5-[3,5-diamino-2-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol
CAS number
61430-99-7
Molecular formula
C23H45N5O13
InChIKey
AQAVLWBEEHYBHV-UHFFFAOYSA-N
InChI
InChI=1S/C23H45N5O13/c24-3-9-14(31)16(33)12(27)21(37-9)41-20-11(5-30)39-23(18(20)35)36-8-2-6(25)1-7(26)19(8)40-22-13(28)17(34)15(32)10(4-29)38-22/h6-23,29-35H,1-5,24-28H2
SMILES (canonical and isomeric)
C1C(CC(C(C1N)OC2C(C(C(C(O2)CO)O)O)N)OC3C(C(C(O3)CO)OC4C(C(C(C(O4)CN)O)O)N)O)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
599.64 g/molcalc.
Exact mass
599.3014 Dacalc.
LogP (octanol/water)
-7.83calc.
Topological polar surface area
327.1 Ųcalc.
Hydrogen bond donors
12calc.
Hydrogen bond acceptors
18calc.
Rotatable bonds
9calc.
Heavy atoms
41calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
1calc.
Formal charge
0calc.
Stereocentres
18calc.
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(OC2COC(OC3CCCCC3OC3CCCCO3)C2)OC1

C1CCC(OC2COC(OC3CCCCC3OC3CCCCO3)C2)OC1

4 rings, 26 atoms.

49 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.

Orb3023971 suppliers

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Orb3023971 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 Orb3023971 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 Orb3023971 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb3023971, based on the data on this page

What is Orb3023971?

Orb3023971 is a chemical substance with the molecular formula C23H45N5O13 and a molar mass of 599.64 g/mol. Its CAS registry number is 61430-99-7.

What is the CAS number of Orb3023971?

The CAS registry number of Orb3023971 is 61430-99-7.

What is the molecular formula and weight of Orb3023971?

The molecular formula of Orb3023971 is C23H45N5O13 and its molar mass is 599.64 g/mol.

What is Orb3023971 used for?

Known uses and roles of Orb3023971 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Orb3023971 hazardous?

No GHS hazard classification for Orb3023971 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 Orb3023971?

Orb3023971 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 Orb3023971?

Post a free request on CompoundList and suppliers of Orb3023971 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb3023971?

Suppliers quote Orb3023971 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 Orb3023971

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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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