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Screening compounds

Trospectomycin

Also known as Trospectinomycin, Trospectomicina, Trospectomycine

CAS 88669-04-9Formula C17H30N2O7Molar mass 374.43 g/mol
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Trospectomycin chemical structure, C17H30N2O7, CAS 88669-04-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
88669-04-9
Formula
C17H30N2O7
Molar mass
374.43 g/mol
HS code
293299
Category
Screening compounds

What is Trospectomycin?

Plain description, key identifiers and synonyms

Trospectomycin is a member of dioxanes.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,3S,5R,8R,10R,11S,12S,13R,14S)-5-butyl-8,12,14-trihydroxy-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-one
CAS number
88669-04-9 CAS number cross-checked
Molecular formula
C17H30N2O7
UNII
5S94MC2FRG
InChIKey
KHAUBYTYGDOYRU-IRXASZMISA-N
InChI
InChI=1S/C17H30N2O7/c1-4-5-6-8-7-9(20)17(23)16(24-8)25-15-13(22)10(18-2)12(21)11(19-3)14(15)26-17/h8,10-16,18-19,21-23H,4-7H2,1-3H3/t8-,10-,11+,12+,13+,14-,15-,16+,17+/m1/s1
Canonical SMILES
CCCCC1CC(=O)C2(O)OC3C(NC)C(O)C(NC)C(O)C3OC2O1
Isomeric SMILES
CCCC[C@@H]1CC(=O)[C@]2([C@@H](O1)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H]([C@H]3O2)NC)O)NC)O)O

Synonyms

  • Trospectinomycin
  • Trospectomicina
  • Trospectomycine
  • Trospectomycinum
  • (1R,3S,5R,8R,10R,11S,12S,13R,14S)-5-butyl-8,12,14-trihydroxy-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-one
  • (1R,3S,5R,8R,10R,11S,12S,13R,14S)-5-butyl-8,12,14-trihydroxy-11,13-bis(methylamino)-2,4,9-trioxatricyclo(8.4.0.03,8)tetradecan-7-one
  • 4H-Pyrano[2,3-b][1,4]benzodioxin-4-one, 2-butyldecahydro-4a,7,9-trihydroxy-6,8-bis(methylamino)-, (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-
  • Trospectomycin Dihydrochloride
  • 4H-Pyrano(2,3-b)(1,4)benzodioxin-4-one, 2-butyldecahydro-4a,7,9-trihydroxy-6,8-bis(methylamino)-, (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-
  • Spectinomycin deriv U6633F(B)
  • (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-2-butyl-4a,7,9-trihydroxy-6,8-bis(methylamino)-3,5a,6,7,8,9,9a,10a-octahydro-2H-benzo[[?]]pyrano[[?]][1,4]dioxin-4-one
  • (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-2-Butyl-4a,7,9-trihydroxy-6,8-bis(methylamino)decahydro-4H-pyrano[2,3-b][1,4]benzodioxin-4-one
  • (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-2-Butyldecahydro-4a,7,9- trihydroxy-6,8-bis(methylamino)-4H-pyrano[2,3-b][1, 4]benzodioxin-4-one
  • (2R,4ar,5ar,6S,7S,8R,9S,9ar,10as)-2-butyldecahydro-4a,7,9-trihydroxy-6,8-bis(methylamino)-4H-pyrano(2,3-b)(1,4)benzodioxin-4-one

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
374.43 g/molcalc.
Exact mass
374.2053 Dacalc.
LogP (octanol/water)
-1.76calc.
Topological polar surface area
129.5 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
5calc.
Heavy atoms
26calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.94calc.
Formal charge
0calc.
Stereocentres
9calc.
Lipinski rule of five
Passes (0 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=C1CCOC2OC3CCCCC3OC12

O=C1CCOC2OC3CCCCC3OC12

3 rings, 15 atoms.

12 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.

Trospectomycin suppliers

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Trospectomycin 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 Trospectomycin is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Trospectomycin?

Trospectomycin is a member of dioxanes.

What is the CAS number of Trospectomycin?

The CAS registry number of Trospectomycin is 88669-04-9.

What is the molecular formula and weight of Trospectomycin?

The molecular formula of Trospectomycin is C17H30N2O7 and its molar mass is 374.43 g/mol.

What is Trospectomycin used for?

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

Is Trospectomycin hazardous?

No GHS hazard classification for Trospectomycin 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 Trospectomycin?

Trospectomycin is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Trospectomycin?

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What is the price of Trospectomycin?

Suppliers quote Trospectomycin 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 Trospectomycin

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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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