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Heterocyclic compounds

Orb3179723

Also known as US20240118263, Compound Carrimycin

CAS 848080-53-5Formula C50H84N2O16Molar mass 969.22 g/mol
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Orb3179723 chemical structure, C50H84N2O16, CAS 848080-53-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
848080-53-5
Formula
C50H84N2O16
Molar mass
969.22 g/mol
HS code
293220
Category
Heterocyclic compounds

What is Orb3179723?

Plain description, key identifiers and synonyms

Orb3179723 is a chemical substance with the molecular formula C50H84N2O16 and a molar mass of 969.22 g/mol. Its CAS registry number is 848080-53-5. The IUPAC name is [(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-4-acetyloxy-10-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-4-acetyloxy-10-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate
CAS number
848080-53-5
Molecular formula
C50H84N2O16
UNII
MGC06ZKA3G
InChIKey
PNMQDIDLWTXQLZ-RZELCZIWSA-N
InChI
InChI=1S/C50H84N2O16/c1-28(2)24-39(55)66-48-33(7)62-42(27-50(48,9)58)67-45-32(6)63-49(44(57)43(45)52(12)13)68-46-35(22-23-53)25-29(3)37(65-41-21-20-36(51(10)11)31(5)61-41)19-17-15-16-18-30(4)60-40(56)26-38(47(46)59-14)64-34(8)54/h15-17,19,23,28-33,35-38,41-49,57-58H,18,20-22,24-27H2,1-14H3/b16-15+,19-17+/t29-,30-,31-,32-,33+,35+,36+,37+,38-,41+,42+,43-,44-,45-,46+,47+,48+,49+,50-/m1/s1
Canonical SMILES
COC1C(OC(C)=O)CC(=O)OC(C)CC=CC=CC(OC2CCC(N(C)C)C(C)O2)C(C)CC(CC=O)C1OC1OC(C)C(OC2CC(C)(O)C(OC(=O)CC(C)C)C(C)O2)C(N(C)C)C1O
Isomeric SMILES
C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)OC(=O)C)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)O[C@H]4CC[C@@H]([C@H](O4)C)N(C)C

Synonyms

  • US20240118263, Compound Carrimycin

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
969.22 g/molcalc.
Exact mass
968.5821 Dacalc.
LogP (octanol/water)
4.49calc.
Topological polar surface area
207.5 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
18calc.
Rotatable bonds
15calc.
Heavy atoms
68calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.84calc.
Formal charge
0calc.
Stereocentres
19calc.
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=C1CCCC(OC2CCC(OC3CCCCO3)CO2)CCCC(OC2CCCCO2)C=CC=CCCO1

O=C1CCCC(OC2CCC(OC3CCCCO3)CO2)CCCC(OC2CCCCO2)C=CC=CCCO1

4 rings, 38 atoms.

41 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.

Orb3179723 suppliers

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Orb3179723 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 Orb3179723 is traded under.

HS 2932.20Indicative HS code

Lactones

World exports in 2024
$1.97B
−4.7% vs 2023, imports $2.07B
2019 to 2024
Top exporters
  1. China56.3%
  2. India * partner reported7.4%
  3. Germany7.3%
Top importers
  1. United States14.2%
  2. India * partner reported13.5%
  3. Brazil8.5%

* Partner reported figures, a lower bound.

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

The HS code shown for Orb3179723 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb3179723, based on the data on this page

What is Orb3179723?

Orb3179723 is a chemical substance with the molecular formula C50H84N2O16 and a molar mass of 969.22 g/mol. Its CAS registry number is 848080-53-5.

What is the CAS number of Orb3179723?

The CAS registry number of Orb3179723 is 848080-53-5.

What is the molecular formula and weight of Orb3179723?

The molecular formula of Orb3179723 is C50H84N2O16 and its molar mass is 969.22 g/mol.

Is Orb3179723 hazardous?

No GHS hazard classification for Orb3179723 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 Orb3179723?

Orb3179723 is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb3179723?

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What is the price of Orb3179723?

Suppliers quote Orb3179723 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 Orb3179723

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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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