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Heterocyclic building blocks

Rubomycin M

CAS 81703-98-2Formula C33H39NO13Molar mass 657.67 g/mol
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Rubomycin M chemical structure, C33H39NO13, CAS 81703-98-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
81703-98-2
Formula
C33H39NO13
Molar mass
657.67 g/mol
HS code
293299
Category
Heterocyclic building blocks

What is Rubomycin M?

Plain description, key identifiers and synonyms

Rubomycin M is a chemical substance with the molecular formula C33H39NO13 and a molar mass of 657.67 g/mol. Its CAS registry number is 81703-98-2. The IUPAC name is (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
CAS number
81703-98-2
Molecular formula
C33H39NO13
UNII
M96ZG4YZ5M
InChIKey
QTGKDZKONUUXOU-RPYJURNCSA-N
InChI
InChI=1S/C33H39NO13/c1-12-27(37)18(36)9-22(44-12)47-32-13(2)45-21(8-17(32)34)46-20-11-33(42,14(3)35)10-16-24(20)31(41)26-25(29(16)39)28(38)15-6-5-7-19(43-4)23(15)30(26)40/h5-7,12-13,17-18,20-22,27,32,36-37,39,41-42H,8-11,34H2,1-4H3/t12-,13-,17-,18-,20-,21-,22-,27+,32+,33-/m0/s1
Canonical SMILES
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(N)C(OC2CC(O)C(O)C(C)O2)C(C)O1
Isomeric SMILES
C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@@H](O[C@H](C[C@@H]2N)O[C@H]3C[C@@](CC4=C3C(=C5C(=C4O)C(=O)C6=C(C5=O)C(=CC=C6)OC)O)(C(=O)C)O)C)O)O

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
657.67 g/molcalc.
Exact mass
657.2421 Dacalc.
LogP (octanol/water)
0.91calc.
Topological polar surface area
224.5 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
14calc.
Rotatable bonds
6calc.
Heavy atoms
47calc.
Rings
6calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.55calc.
Formal charge
0calc.
Stereocentres
10calc.
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=C1c2ccccc2C(=O)c2cc3c(cc21)CCCC3OC1CCC(OC2CCCCO2)CO1

O=C1c2ccccc2C(=O)c2cc3c(cc21)CCCC3OC1CCC(OC2CCCCO2)CO1

6 rings, 34 atoms.

31 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.

Rubomycin M suppliers

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Rubomycin M 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 Rubomycin M is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Rubomycin M, based on the data on this page

What is Rubomycin M?

Rubomycin M is a chemical substance with the molecular formula C33H39NO13 and a molar mass of 657.67 g/mol. Its CAS registry number is 81703-98-2.

What is the CAS number of Rubomycin M?

The CAS registry number of Rubomycin M is 81703-98-2.

What is the molecular formula and weight of Rubomycin M?

The molecular formula of Rubomycin M is C33H39NO13 and its molar mass is 657.67 g/mol.

What is Rubomycin M used for?

Known uses and roles of Rubomycin M include building blocks in research and laboratory.

Is Rubomycin M hazardous?

No GHS hazard classification for Rubomycin M 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 Rubomycin M?

Rubomycin M is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Rubomycin M?

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What is the price of Rubomycin M?

Suppliers quote Rubomycin M 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 Rubomycin M

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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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