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Heterocyclic compounds

Orb3023969

CAS 135862-90-7Formula C51H82N8O16Molar mass 1,063.26 g/mol
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Orb3023969 chemical structure, C51H82N8O16, CAS 135862-90-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
135862-90-7
Formula
C51H82N8O16
Molar mass
1,063.26 g/mol
HS code
293379
Category
Heterocyclic compounds

What is Orb3023969?

Plain description, key identifiers and synonyms

Orb3023969 is a chemical substance with the molecular formula C51H82N8O16 and a molar mass of 1,063.26 g/mol. Its CAS registry number is 135862-90-7. The IUPAC name is N-[3-(3-amino-1-hydroxy-3-oxopropyl)-11,20,21,25-tetrahydroxy-15-(1-hydroxyethyl)-6-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N-[3-(3-amino-1-hydroxy-3-oxopropyl)-11,20,21,25-tetrahydroxy-15-(1-hydroxyethyl)-6-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide
CAS number
135862-90-7
Molecular formula
C51H82N8O16
InChIKey
QHYUKZZCYGMWMK-UHFFFAOYSA-N
InChI
InChI=1S/C51H82N8O16/c1-6-26(2)19-27(3)13-11-9-7-8-10-12-14-40(67)53-33-22-38(65)48(72)57-49(73)43-44(68)28(4)24-59(43)51(75)42(37(64)23-39(52)66)56-46(70)34(21-36(63)30-15-17-31(61)18-16-30)54-47(71)35-20-32(62)25-58(35)50(74)41(29(5)60)55-45(33)69/h15-18,26-29,32-38,41-44,48,60-65,68,72H,6-14,19-25H2,1-5H3,(H2,52,66)(H,53,67)(H,54,71)(H,55,69)(H,56,70)(H,57,73)
SMILES (canonical and isomeric)
CCC(C)CC(C)CCCCCCCCC(=O)NC1CC(C(NC(=O)C2C(C(CN2C(=O)C(NC(=O)C(NC(=O)C3CC(CN3C(=O)C(NC1=O)C(C)O)O)CC(C4=CC=C(C=C4)O)O)C(CC(=O)N)O)C)O)O)O

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
1,063.26 g/molcalc.
Exact mass
1,062.5849 Dacalc.
LogP (octanol/water)
-2.07calc.
Topological polar surface area
391.1 Ųcalc.
Hydrogen bond donors
14calc.
Hydrogen bond acceptors
16calc.
Rotatable bonds
20calc.
Heavy atoms
75calc.
Rings
4calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.73calc.
Formal charge
0calc.
Stereocentres
16calc.
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, O=C1CCCCNC(=O)C2CCCN2C(=O)CNC(=O)C(CCc2ccccc2)NC(=O)C2CCCN2C(=O)CN1

O=C1CCCCNC(=O)C2CCCN2C(=O)CNC(=O)C(CCc2ccccc2)NC(=O)C2CCCN2C(=O)CN1

4 rings, 41 atoms.

51 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.

Orb3023969 suppliers

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Orb3023969 price

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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 Orb3023969 is traded under.

HS 2933.79Indicative HS code

Lactams, other lactams

World exports in 2024
$16.2B
−64.4% vs 2023, imports $15.4B
2019 to 2024
Top exporters
  1. Ireland37.0%
  2. France * partner reported15.6%
  3. Spain11.3%
Top importers
  1. Germany27.8%
  2. Ireland18.9%
  3. Panama * partner reported12.9%

* Partner reported figures, a lower bound.

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

The HS code shown for Orb3023969 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb3023969, based on the data on this page

What is Orb3023969?

Orb3023969 is a chemical substance with the molecular formula C51H82N8O16 and a molar mass of 1,063.26 g/mol. Its CAS registry number is 135862-90-7.

What is the CAS number of Orb3023969?

The CAS registry number of Orb3023969 is 135862-90-7.

What is the molecular formula and weight of Orb3023969?

The molecular formula of Orb3023969 is C51H82N8O16 and its molar mass is 1,063.26 g/mol.

Is Orb3023969 hazardous?

No GHS hazard classification for Orb3023969 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 Orb3023969?

Orb3023969 is usually classified under HS code 293379 (Lactams, other lactams). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb3023969?

Post a free request on CompoundList and suppliers of Orb3023969 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb3023969?

Suppliers quote Orb3023969 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

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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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