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Glycosides and other natural products

Phleomycin A2

Also known as Bleomycinamide, N(sup 1)-(3-(dimethylsulfonio)propyl)-7,8-dihydro-

CAS 52198-87-5Formula C55H86N17O21S3+Molar mass 1,417.59 g/mol
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Phleomycin A2 chemical structure, C55H86N17O21S3+, CAS 52198-87-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
52198-87-5
Formula
C55H86N17O21S3+
Molar mass
1,417.59 g/mol
HS code
294190
Category
Glycosides and other natural products

What is Phleomycin A2?

Plain description, key identifiers and synonyms

Phleomycin A2 is a chemical substance with the molecular formula C55H86N17O21S3+ and a molar mass of 1,417.59 g/mol. Its CAS registry number is 52198-87-5. The IUPAC name is 3-[[2-[2-[2-[[2-[[4-[[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[3-[4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-2-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]ethyl]-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonyl]amino]propyl-dimethylsulfanium.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-[[2-[2-[2-[[2-[[4-[[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[3-[4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-2-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]ethyl]-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonyl]amino]propyl-dimethylsulfanium
CAS number
52198-87-5
Molecular formula
C55H86N17O21S3+
InChIKey
YIRRGAFSYZCZBP-UHFFFAOYSA-O
InChI
InChI=1S/C55H85N17O21S3/c1-20-33(69-46(72-44(20)58)25(12-31(57)76)64-13-24(56)45(59)82)50(86)71-35(41(26-14-61-19-65-26)91-54-43(39(80)37(78)29(15-73)90-54)92-53-40(81)42(93-55(60)88)38(79)30(16-74)89-53)51(87)66-22(3)36(77)21(2)47(83)70-34(23(4)75)49(85)63-10-8-32-67-28(18-94-32)52-68-27(17-95-52)48(84)62-9-7-11-96(5)6/h14,17,19,21-25,28-30,34-43,53-54,64,73-75,77-81H,7-13,15-16,18,56H2,1-6H3,(H13-,57,58,59,60,61,62,63,65,66,69,70,71,72,76,82,83,84,85,86,87,88)/p+1
SMILES (canonical and isomeric)
CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O

Synonyms

  • Bleomycinamide, N(sup 1)-(3-(dimethylsulfonio)propyl)-7,8-dihydro-

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
1,417.59 g/molcalc.
Exact mass
1,416.5341 Dacalc.
LogP (octanol/water)
-7.79calc.
Topological polar surface area
626.5 Ųcalc.
Hydrogen bond donors
20calc.
Hydrogen bond acceptors
31calc.
Rotatable bonds
35calc.
Heavy atoms
96calc.
Rings
6calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.66calc.
Formal charge
1calc.
Stereocentres
20calc.
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=C(CCCNC(=O)C(NC(=O)c1ccncn1)C(OC1OCCCC1OC1CCCCO1)c1cnc[nH]1)NCC(=O)NCCC1=NC(c2nccs2)CS1

O=C(CCCNC(=O)C(NC(=O)c1ccncn1)C(OC1OCCCC1OC1CCCCO1)c1cnc[nH]1)NCC(=O)NCCC1=NC(c2nccs2)CS1

6 rings, 55 atoms.

5 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.

Phleomycin A2 suppliers

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Phleomycin A2 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 Phleomycin A2 is traded under.

HS 2941.90Indicative HS code

Antibiotics, other

World exports in 2024
$6.39B
+2.3% vs 2023, imports $6.97B
2019 to 2024
Top exporters
  1. China39.7%
  2. United States11.3%
  3. Switzerland * partner reported10.9%
Top importers
  1. Italy15.0%
  2. India * partner reported12.0%
  3. China8.7%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Phleomycin A2?

Phleomycin A2 is a chemical substance with the molecular formula C55H86N17O21S3+ and a molar mass of 1,417.59 g/mol. Its CAS registry number is 52198-87-5.

What is the CAS number of Phleomycin A2?

The CAS registry number of Phleomycin A2 is 52198-87-5.

What is the molecular formula and weight of Phleomycin A2?

The molecular formula of Phleomycin A2 is C55H86N17O21S3+ and its molar mass is 1,417.59 g/mol.

Is Phleomycin A2 hazardous?

No GHS hazard classification for Phleomycin 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 Phleomycin A2?

Phleomycin A2 is usually classified under HS code 294190 (Antibiotics, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Phleomycin A2?

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

What is the price of Phleomycin A2?

Suppliers quote Phleomycin 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 Phleomycin 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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