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Heterocyclic compounds

Triostin A

Also known as L-Valine, bimol. lactone, cyclic disulfide

CAS 13758-27-5Formula C50H62N12O12S2Molar mass 1,087.25 g/mol
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Triostin A chemical structure, C50H62N12O12S2, CAS 13758-27-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
13758-27-5
Formula
C50H62N12O12S2
Molar mass
1,087.25 g/mol
HS code
293499
Category
Heterocyclic compounds

What is Triostin A?

Plain description, key identifiers and synonyms

N-[2,4,12,15,17,25-hexamethyl-3,6,10,13,16,19,23,26-octaoxo-11,24-di(propan-2-yl)-20-(quinoxaline-2-carbonylamino)-9,22-dioxa-28,29-dithia-2,5,12,15,18,25-hexazabicyclo[12.12.4]triacontan-7-yl]quinoxaline-2-carboxamide has been reported in Streptomyces triostinicus.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N-[2,4,12,15,17,25-hexamethyl-3,6,10,13,16,19,23,26-octaoxo-11,24-di(propan-2-yl)-20-(quinoxaline-2-carbonylamino)-9,22-dioxa-28,29-dithia-2,5,12,15,18,25-hexazabicyclo[12.12.4]triacontan-7-yl]quinoxaline-2-carboxamide
CAS number
13758-27-5
Molecular formula
C50H62N12O12S2
InChIKey
GULVULFEAVZHHC-UHFFFAOYSA-N
InChI
InChI=1S/C50H62N12O12S2/c1-25(2)39-49(71)73-21-35(57-41(63)33-19-51-29-15-11-13-17-31(29)55-33)43(65)53-28(6)46(68)60(8)38-24-76-75-23-37(47(69)61(39)9)59(7)45(67)27(5)54-44(66)36(22-74-50(72)40(26(3)4)62(10)48(38)70)58-42(64)34-20-52-30-16-12-14-18-32(30)56-34/h11-20,25-28,35-40H,21-24H2,1-10H3,(H,53,65)(H,54,66)(H,57,63)(H,58,64)
SMILES (canonical and isomeric)
CC1C(=O)N(C2CSSCC(C(=O)N(C(C(=O)OCC(C(=O)N1)NC(=O)C3=NC4=CC=CC=C4N=C3)C(C)C)C)N(C(=O)C(NC(=O)C(COC(=O)C(N(C2=O)C)C(C)C)NC(=O)C5=NC6=CC=CC=C6N=C5)C)C)C

Synonyms

  • L-Valine, bimol. lactone, cyclic disulfide

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
1,087.25 g/molcalc.
Exact mass
1,086.4052 Dacalc.
LogP (octanol/water)
0.59calc.
Topological polar surface area
301.8 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
18calc.
Rotatable bonds
6calc.
Heavy atoms
76calc.
Rings
6calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.48calc.
Formal charge
0calc.
Stereocentres
8calc.
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=C1CNC(=O)C(NC(=O)c2cnc3ccccc3n2)COC(=O)CNC(=O)C2CSSCC(N1)C(=O)NCC(=O)OCC(NC(=O)c1cnc3ccccc3n1)C(=O)NCC(=O)N2

O=C1CNC(=O)C(NC(=O)c2cnc3ccccc3n2)COC(=O)CNC(=O)C2CSSCC(N1)C(=O)NCC(=O)OCC(NC(=O)c1cnc3ccccc3n1)C(=O)NCC(=O)N2

6 rings, 64 atoms.

7 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.

Triostin A suppliers

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Triostin A 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

Pharmacological actions

  • Anti-Bacterial Agents

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 Triostin A is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about Triostin A, based on the data on this page

What is Triostin A?

N-[2,4,12,15,17,25-hexamethyl-3,6,10,13,16,19,23,26-octaoxo-11,24-di(propan-2-yl)-20-(quinoxaline-2-carbonylamino)-9,22-dioxa-28,29-dithia-2,5,12,15,18,25-hexazabicyclo[12.12.4]triacontan-7-yl]quinoxaline-2-carboxamide has been reported in Streptomyces triostinicus.

What is the CAS number of Triostin A?

The CAS registry number of Triostin A is 13758-27-5.

What is the molecular formula and weight of Triostin A?

The molecular formula of Triostin A is C50H62N12O12S2 and its molar mass is 1,087.25 g/mol.

What is Triostin A used for?

Known uses and roles of Triostin A include anti-bacterial agents.

Is Triostin A hazardous?

No GHS hazard classification for Triostin A 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 Triostin A?

Triostin A is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Triostin A?

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What is the price of Triostin A?

Suppliers quote Triostin A on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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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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