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Cepacidine A2 chemical structure, C52H85N11O21, CAS 157184-35-5
2D chemical structure

Key facts

What buyers check first

CAS number
157184-35-5
Formula
C52H85N11O21
Molar mass
1,200.31 g/mol
HS code
293890
Category
Glycosides and other natural products

What is Cepacidine A2?

Plain description, key identifiers and synonyms

Cepacidine A2 is a peptide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[25-amino-19-[6-amino-4-hydroxy-2-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypentadecyl]-22-(2-amino-2-oxoethyl)-12-[hydroxy-(4-hydroxyphenyl)methyl]-6,15-bis(hydroxymethyl)-2,5,8,11,14,17,21,24-octaoxo-1,4,7,10,13,16,20,23-octazacycloheptacos-9-yl]acetic acid
CAS number
157184-35-5
Molecular formula
C52H85N11O21
InChIKey
HWQREZWVXGVHJC-PBLGGKLNSA-N
InChI
InChI=1S/C52H85N11O21/c1-2-3-4-5-6-7-8-9-27(53)16-30(67)19-31(84-52-45(76)44(75)37(68)25-83-52)17-28-18-39(70)59-36(24-65)50(81)63-42(43(74)26-10-12-29(66)13-11-26)51(82)61-34(21-41(72)73)49(80)62-35(23-64)47(78)57-22-40(71)56-15-14-32(54)46(77)60-33(20-38(55)69)48(79)58-28/h10-13,27-28,30-37,42-45,52,64-68,74-76H,2-9,14-25,53-54H2,1H3,(H2,55,69)(H,56,71)(H,57,78)(H,58,79)(H,59,70)(H,60,77)(H,61,82)(H,62,80)(H,63,81)(H,72,73)/t27?,28?,30?,31?,32?,33?,34?,35?,36?,37-,42?,43?,44+,45-,52?/m1/s1
Canonical SMILES
CCCCCCCCCC(N)CC(O)CC(CC1CC(=O)NC(CO)C(=O)NC(C(O)c2ccc(O)cc2)C(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)NCC(=O)NCCC(N)C(=O)NC(CC(N)=O)C(=O)N1)OC1OCC(O)C(O)C1O
Isomeric SMILES
CCCCCCCCCC(CC(CC(CC1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NCCC(C(=O)NC(C(=O)N1)CC(=O)N)N)CO)CC(=O)O)C(C2=CC=C(C=C2)O)O)CO)OC3[C@@H]([C@H]([C@@H](CO3)O)O)O)O)N

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
1,200.31 g/molcalc.
Exact mass
1,199.5921 Dacalc.
LogP (octanol/water)
-7.15calc.
Topological polar surface area
545.5 ร…ยฒcalc.
Hydrogen bond donors
20calc.
Hydrogen bond acceptors
22calc.
Rotatable bonds
24calc.
Heavy atoms
84calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.69calc.
Formal charge
0calc.
Stereocentres
15calc.
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=C1CCCNC(=O)CNC(=O)CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)CC(CCOC2CCCCO2)NC(=O)CN1

O=C1CCCNC(=O)CNC(=O)CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)CC(CCOC2CCCCO2)NC(=O)CN1

3 rings, 51 atoms.

1 other chemical 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.

Cepacidine A2 suppliers

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Post one free request and suppliers who make or trade Cepacidine A2 can send you quotes. Your contact details stay private until you accept a quote.

Cepacidine A2 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

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 Cepacidine A2 is traded under.

HS 2938.90Indicative HS code

Natural or reproduced by synthesis, other than rutoside (rutin) and its derivatives

World exports in 2024
$1.4B
โˆ’8.3% vs 2023, imports $1.35B
2019 to 2024
Top exporters
  1. China49.2%
  2. France * partner reported8.9%
  3. Malaysia6.1%
Top importers
  1. United States22.3%
  2. India * partner reported7.8%
  3. Brazil5.5%

* Partner reported figures, a lower bound.

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

The HS code shown for Cepacidine A2 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Cepacidine A2, based on the data on this page

What is Cepacidine A2?

Cepacidine A2 is a peptide.

What is the CAS number of Cepacidine A2?

The CAS registry number of Cepacidine A2 is 157184-35-5.

What is the molecular formula and weight of Cepacidine A2?

The molecular formula of Cepacidine A2 is C52H85N11O21 and its molar mass is 1,200.31 g/mol.

What is Cepacidine A2 used for?

Known uses and roles of Cepacidine A2 include corrosion inhibitors in oil, gas and lubricants.

Is Cepacidine A2 hazardous?

No GHS hazard classification for Cepacidine A2 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 Cepacidine A2?

Cepacidine A2 is usually classified under HS code 293890 (Glycosides, natural or reproduced by synthesis, and their salts, ethers, esters andโ€ฆ). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Cepacidine A2?

Post a free request on CompoundList and suppliers of Cepacidine A2 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Cepacidine A2?

Suppliers quote Cepacidine A2 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 Cepacidine A2

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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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