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Peptides

Phomopsin A

Also known as Phomopsin, phomopsins, C36H45ClN6O12

CAS 64925-80-0Formula C36H45ClN6O12Molar mass 789.24 g/mol
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Phomopsin A chemical structure, C36H45ClN6O12, CAS 64925-80-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
64925-80-0
Formula
C36H45ClN6O12
Molar mass
789.24 g/mol
HS code
293499
Category
Peptides

What is Phomopsin A?

Plain description, key identifiers and synonyms

Phomopsin A is an oligopeptide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(E)-2-[[(E)-2-[[(2S)-1-[(3R,4S,7S,10S,11S)-14-chloro-3-ethyl-11,15-dihydroxy-3-methyl-10-(methylamino)-6,9-dioxo-7-prop-1-en-2-yl-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene-4-carbonyl]-2,5-dihydropyrrole-2-carbonyl]amino]-3-methylpent-2-enoyl]amino]but-2-enedioic acid
CAS number
64925-80-0 CAS number cross-checked
Molecular formula
C36H45ClN6O12
MDL number
MFCD01742618
InChIKey
FAFRRYBYQKPKSY-AJSRVUJESA-N
InChI
InChI=1S/C36H45ClN6O12/c1-8-17(5)25(32(50)39-20(35(53)54)15-23(44)45)41-30(48)21-11-10-12-43(21)34(52)29-36(6,9-2)55-22-14-18(13-19(37)28(22)47)27(46)26(38-7)33(51)40-24(16(3)4)31(49)42-29/h10-11,13-15,21,24,26-27,29,38,46-47H,3,8-9,12H2,1-2,4-7H3,(H,39,50)(H,40,51)(H,41,48)(H,42,49)(H,44,45)(H,53,54)/b20-15+,25-17+/t21-,24-,26-,27-,29+,36+/m0/s1
Canonical SMILES
C=C(C)C1NC(=O)C(NC)C(O)c2cc(Cl)c(O)c(c2)OC(C)(CC)C(C(=O)N2CC=CC2C(=O)NC(C(=O)NC(=CC(=O)O)C(=O)O)=C(C)CC)NC1=O
Isomeric SMILES
CC/C(=C(\C(=O)N/C(=C/C(=O)O)/C(=O)O)/NC(=O)[C@@H]1C=CCN1C(=O)[C@@H]2[C@@](OC3=C(C(=CC(=C3)[C@@H]([C@@H](C(=O)N[C@H](C(=O)N2)C(=C)C)NC)O)Cl)O)(C)CC)/C

Synonyms

  • Phomopsin
  • phomopsins
  • C36H45ClN6O12

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
789.24 g/molcalc.
Exact mass
788.2784 Dacalc.
LogP (octanol/water)
0.51calc.
Topological polar surface area
273 Ųcalc.
Hydrogen bond donors
9calc.
Hydrogen bond acceptors
11calc.
Rotatable bonds
11calc.
Heavy atoms
55calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.42calc.
Formal charge
0calc.
Stereocentres
6calc.
Lipinski rule of five
Fails (3 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=C1CCc2cccc(c2)OCC(C(=O)N2CC=CC2)NC(=O)CN1

O=C1CCc2cccc(c2)OCC(C(=O)N2CC=CC2)NC(=O)CN1

3 rings, 25 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.

Phomopsin A suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 2 suppliers

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

2 suppliers in 2 countries

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Phomopsin A price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Pharmacological actions

  • Tubulin Modulators

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 Phomopsin 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 Phomopsin A is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Phomopsin A?

Phomopsin A is an oligopeptide.

What is the CAS number of Phomopsin A?

The CAS registry number of Phomopsin A is 64925-80-0.

What is the molecular formula and weight of Phomopsin A?

The molecular formula of Phomopsin A is C36H45ClN6O12 and its molar mass is 789.24 g/mol.

What is Phomopsin A used for?

Known uses and roles of Phomopsin A include tubulin modulators.

Is Phomopsin A hazardous?

No GHS hazard classification for Phomopsin 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 Phomopsin A?

Phomopsin 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 Phomopsin A?

CompoundList lists 2 suppliers of Phomopsin A in Australia and Israel. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Phomopsin A?

Suppliers quote Phomopsin 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 Phomopsin 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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