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Aliphatic and alicyclic building blocks

Sperabillin D

Also known as (3R,5R,6R)-3-amino-N-(3-amino-3-iminopropyl)-6-[[(2E,4E)-hexa-2,4-dienoyl]amino]-5-hydroxyheptanamide, D-xylo-Heptonamide, 3-amino-N-(3-amino-3-iminopropyl)-2,3,4,6,7-pentadeoxy-6-((1-oxo-2,4-hexadienyl)amino)-, (E,E)-, (3R,5R,6R)-3-amino-N-(3-amino-3-iminopropyl)-6-(((2E,4E)-hexa-2,4-dienoyl)amino)-5-hydroxyheptanamide

CAS 111465-40-8Formula C16H29N5O3Molar mass 339.44 g/mol
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Sperabillin D chemical structure, C16H29N5O3, CAS 111465-40-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
111465-40-8
Formula
C16H29N5O3
Molar mass
339.44 g/mol
HS code
292529
Category
Aliphatic and alicyclic building blocks

What is Sperabillin D?

Plain description, key identifiers and synonyms

Sperabillin D has been reported in Pseudomonas fluorescens.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3R,5R,6R)-3-amino-N-(3-amino-3-iminopropyl)-6-[[(2E,4E)-hexa-2,4-dienoyl]amino]-5-hydroxyheptanamide
CAS number
111465-40-8
Molecular formula
C16H29N5O3
InChIKey
HGBIYXQMCATWPJ-PXRNKZPESA-N
InChI
InChI=1S/C16H29N5O3/c1-3-4-5-6-15(23)21-11(2)13(22)9-12(17)10-16(24)20-8-7-14(18)19/h3-6,11-13,22H,7-10,17H2,1-2H3,(H3,18,19)(H,20,24)(H,21,23)/b4-3+,6-5+/t11-,12-,13-/m1/s1
Canonical SMILES
CC=CC=CC(=O)NC(C)C(O)CC(N)CC(=O)NCCC(=N)N
Isomeric SMILES
C/C=C/C=C/C(=O)N[C@H](C)[C@@H](C[C@H](CC(=O)NCCC(=N)N)N)O

Synonyms

  • (3R,5R,6R)-3-amino-N-(3-amino-3-iminopropyl)-6-[[(2E,4E)-hexa-2,4-dienoyl]amino]-5-hydroxyheptanamide
  • D-xylo-Heptonamide, 3-amino-N-(3-amino-3-iminopropyl)-2,3,4,6,7-pentadeoxy-6-((1-oxo-2,4-hexadienyl)amino)-, (E,E)-
  • (3R,5R,6R)-3-amino-N-(3-amino-3-iminopropyl)-6-(((2E,4E)-hexa-2,4-dienoyl)amino)-5-hydroxyheptanamide
  • SperabillinD

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
339.44 g/molcalc.
Exact mass
339.227 Dacalc.
LogP (octanol/water)
-0.47calc.
Topological polar surface area
154.3 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
11calc.
Heavy atoms
24calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.56calc.
Formal charge
0calc.
Stereocentres
3calc.
Lipinski rule of five
Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

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.

Sperabillin D suppliers

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Sperabillin D 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 Sperabillin D is traded under.

HS 2925.29Indicative HS code

Imines and their derivatives, salts thereof, other

World exports in 2024
$1.8B
+12.4% vs 2023, imports $1.84B
2019 to 2024
Top exporters
  1. China35.9%
  2. France * partner reported15.5%
  3. Germany9.1%
Top importers
  1. United States13.3%
  2. China13.0%
  3. Brazil9.7%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Sperabillin D, based on the data on this page

What is Sperabillin D?

Sperabillin D has been reported in Pseudomonas fluorescens.

What is the CAS number of Sperabillin D?

The CAS registry number of Sperabillin D is 111465-40-8.

What is the molecular formula and weight of Sperabillin D?

The molecular formula of Sperabillin D is C16H29N5O3 and its molar mass is 339.44 g/mol.

What is Sperabillin D used for?

Known uses and roles of Sperabillin D include building blocks in research and laboratory.

Is Sperabillin D hazardous?

No GHS hazard classification for Sperabillin D 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 Sperabillin D?

Sperabillin D is usually classified under HS code 292529 (Imines and their derivatives, salts thereof, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Sperabillin D?

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

What is the price of Sperabillin D?

Suppliers quote Sperabillin D 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 Sperabillin D

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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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