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Heterocyclic building blocks

Heneicomycin

Also known as Mocimycin, 30-deoxy-1-methyl-, Antibiotic A 21A, 30-Deoxy-1-methylmocimycin

CAS 66170-37-4Formula C44H62N2O11Molar mass 794.98 g/mol
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Heneicomycin chemical structure, C44H62N2O11, CAS 66170-37-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
66170-37-4
Formula
C44H62N2O11
Molar mass
794.98 g/mol
HS code
293499
Category
Heterocyclic building blocks

What is Heneicomycin?

Plain description, key identifiers and synonyms

Heneicomycin has been reported in Streptomyces filipinensis.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S)-2-[(2S,4S,6S)-2,4-dihydroxy-5,5-dimethyl-6-[(1E,3E)-penta-1,3-dienyl]oxan-2-yl]-N-[(2E,4E,6S,7R)-7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-[(1E,3E,5E)-7-(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)-6-methyl-7-oxohepta-1,3,5-trienyl]oxolan-2-yl]-6-methoxy-5-methylocta-2,4-dienyl]butanamide
CAS number
66170-37-4
Molecular formula
C44H62N2O11
InChIKey
VKGDSUWMXCVJEA-ZODLGNRVSA-N
InChI
InChI=1S/C44H62N2O11/c1-10-12-14-22-34-43(6,7)33(48)26-44(54,57-34)30(11-2)41(52)45-24-18-17-20-28(4)39(55-9)29(5)40-38(51)37(50)32(56-40)21-16-13-15-19-27(3)36(49)35-31(47)23-25-46(8)42(35)53/h10,12-23,25,29-30,32-34,37-40,47-48,50-51,54H,11,24,26H2,1-9H3,(H,45,52)/b12-10+,15-13+,18-17+,21-16+,22-14+,27-19+,28-20+/t29-,30-,32-,33+,34+,37+,38+,39-,40+,44+/m1/s1
Canonical SMILES
CC=CC=CC1OC(O)(C(CC)C(=O)NCC=CC=C(C)C(OC)C(C)C2OC(C=CC=CC=C(C)C(=O)c3c(O)ccn(C)c3=O)C(O)C2O)CC(O)C1(C)C
Isomeric SMILES
CC[C@H](C(=O)NC/C=C/C=C(\C)/[C@H]([C@@H](C)[C@H]1[C@H]([C@H]([C@H](O1)/C=C/C=C/C=C(\C)/C(=O)C2=C(C=CN(C2=O)C)O)O)O)OC)[C@@]3(C[C@@H](C([C@@H](O3)/C=C/C=C/C)(C)C)O)O

Synonyms

  • Mocimycin, 30-deoxy-1-methyl-
  • Antibiotic A 21A
  • 30-Deoxy-1-methylmocimycin

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
794.98 g/molcalc.
Exact mass
794.4354 Dacalc.
LogP (octanol/water)
4.11calc.
Topological polar surface area
197 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
11calc.
Rotatable bonds
17calc.
Heavy atoms
57calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.52calc.
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=C(CC1CCCCO1)NCC=CC=CCCC1CCC(C=CC=CC=CC(=O)c2ccc[nH]c2=O)O1

O=C(CC1CCCCO1)NCC=CC=CCCC1CCC(C=CC=CC=CC(=O)c2ccc[nH]c2=O)O1

3 rings, 37 atoms.

4 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.

Heneicomycin suppliers

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

Frequently asked questions

Quick answers about Heneicomycin, based on the data on this page

What is Heneicomycin?

Heneicomycin has been reported in Streptomyces filipinensis.

What is the CAS number of Heneicomycin?

The CAS registry number of Heneicomycin is 66170-37-4.

What is the molecular formula and weight of Heneicomycin?

The molecular formula of Heneicomycin is C44H62N2O11 and its molar mass is 794.98 g/mol.

What is Heneicomycin used for?

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

Is Heneicomycin hazardous?

No GHS hazard classification for Heneicomycin 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 Heneicomycin?

Heneicomycin 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 Heneicomycin?

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

What is the price of Heneicomycin?

Suppliers quote Heneicomycin 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 Heneicomycin

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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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