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Chemical substance record

Toyocamycin

606-58-6C12H13N5O4291.267 g/mol

An N-glycosylpyrrolopyrimidine that is tubercidin in which the hydrogen at position 5 of the pyrrolopyrimidine moiety has been replaced by a cyano group. — ChEBI

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Identity & molecular properties

Source-linked values
CAS number606-58-6ChEBI ↗
Molecular formulaC12H13N5O4ChEBI ↗
Molar mass291.267 g/molChEBI ↗
Monoisotopic mass291.09675 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:134606ChEBI ↗

Cross-source molecular data

PubChem
Molar mass291.26 g/molPubChem ↗
Exact mass291.09675391 DaPubChem ↗
Computed XLogP-1.6PubChem ↗
Topological polar surface area (Ų)150PubChem ↗
H-bond donors4PubChem ↗
H-bond acceptors8PubChem ↗
Rotatable bonds2PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

Copy any identifier
toyocamycin
4-amino-7-beta-D-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
XOKJUSAYZUAMGJ-WOUKDFQISA-N
N#Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12
InChI=1S/C12H13N5O4/c13-1-5-2-17(11-7(5)10(14)15-4-16-11)12-9(20)8(19)6(3-18)21-12/h2,4,6,8-9,12,18-20H,3H2,(H2,14,15,16)/t6-,8-,9-,12-/m1/s1

Names & synonyms

4-amino-7-beta-D-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology

Roles recorded in ChEBI

antimetaboliteantineoplastic agentapoptosis inducerbacterial metabolite

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass
Equivalent amount
0.00343328 mol

Uses 291.267 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions
C
Carbon · 12 atoms
49.48%
N
Nitrogen · 5 atoms
24.04%
O
Oxygen · 4 atoms
21.97%
H
Hydrogen · 13 atoms
4.50%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations

Sources & record history

Checked 27 Sep 2026
EMBL-EBI ChEBI · CHEBI:134606

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

NCBI PubChem · CID 11824 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.