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Heterocyclic compounds

Didemnin A

Also known as didemnins, Oncoprecipitin A, didemnin-a

CAS 77327-04-9Formula C49H78N6O12Molar mass 943.19 g/mol
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Didemnin A chemical structure, C49H78N6O12, CAS 77327-04-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
77327-04-9
Formula
C49H78N6O12
Molar mass
943.19 g/mol
HS code
293499
Category
Heterocyclic compounds

What is Didemnin A?

Plain description, key identifiers and synonyms

didemnin a has been reported in Trididemnum solidum and Didemnidae.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2R)-N-[(3S,6S,8S,12S,13R,16S,17R,20S,23S)-13-[(2S)-butan-2-yl]-12-hydroxy-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-2,5,7,10,15,19,22-heptaoxo-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]-4-methyl-2-(methylamino)pentanamide
CAS number
77327-04-9
Molecular formula
C49H78N6O12
UNII
4LSZ9C5HOB
InChIKey
XQZOGOCTPKFYKC-VSZULPIASA-N
InChI
InChI=1S/C49H78N6O12/c1-14-29(8)40-38(56)25-39(57)67-43(28(6)7)42(58)30(9)44(59)51-35(23-27(4)5)47(62)55-21-15-16-36(55)48(63)54(12)37(24-32-17-19-33(65-13)20-18-32)49(64)66-31(10)41(46(61)52-40)53-45(60)34(50-11)22-26(2)3/h17-20,26-31,34-38,40-41,43,50,56H,14-16,21-25H2,1-13H3,(H,51,59)(H,52,61)(H,53,60)/t29-,30-,31+,34+,35-,36-,37-,38-,40+,41-,43-/m0/s1
Canonical SMILES
CCC(C)C1NC(=O)C(NC(=O)C(CC(C)C)NC)C(C)OC(=O)C(Cc2ccc(OC)cc2)N(C)C(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(C)C(=O)C(C(C)C)OC(=O)CC1O
Isomeric SMILES
CC[C@H](C)[C@@H]1[C@H](CC(=O)O[C@H](C(=O)[C@@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)[C@@H](CC(C)C)NC)C)CC3=CC=C(C=C3)OC)C)CC(C)C)C)C(C)C)O

Synonyms

  • didemnins
  • Oncoprecipitin A
  • didemnin-a
  • 15H-Pyrrolo(2,1-f)(1,15,4,7,10,20)dioxatetraazacyclotricosine, cyclic peptide deriv.

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
943.19 g/molcalc.
Exact mass
942.5678 Dacalc.
LogP (octanol/water)
2.71calc.
Topological polar surface area
239.1 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
13calc.
Rotatable bonds
13calc.
Heavy atoms
67calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.71calc.
Formal charge
0calc.
Stereocentres
11calc.
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=C1COC(=O)CCCNC(=O)CCOC(=O)C(Cc2ccccc2)NC(=O)C2CCCN2C(=O)CNC(=O)C1

O=C1COC(=O)CCCNC(=O)CCOC(=O)C(Cc2ccccc2)NC(=O)C2CCCN2C(=O)CNC(=O)C1

3 rings, 40 atoms.

3 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.

Didemnin A suppliers

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Didemnin 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-Infective Agents
  • Antineoplastic Agents
  • Antiviral Agents
  • Immunosuppressive 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 Didemnin 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 Didemnin A is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Didemnin A?

didemnin a has been reported in Trididemnum solidum and Didemnidae.

What is the CAS number of Didemnin A?

The CAS registry number of Didemnin A is 77327-04-9.

What is the molecular formula and weight of Didemnin A?

The molecular formula of Didemnin A is C49H78N6O12 and its molar mass is 943.19 g/mol.

What is Didemnin A used for?

Known uses and roles of Didemnin A include anti-infective agents, antineoplastic agents, antiviral agents and immunosuppressive agents.

Is Didemnin A hazardous?

No GHS hazard classification for Didemnin 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 Didemnin A?

Didemnin 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 Didemnin A?

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

What is the price of Didemnin A?

Suppliers quote Didemnin A 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 Didemnin A

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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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