1-[(4R,5R)-4,5-Dihydroxy-L-ornithine]echinocandin B
[CAS 79411-15-7]

Identification

• Classification: API >> Other chemicals
• Name: 1-[(4R,5R)-4,5-Dihydroxy-L-ornithine]echinocandin B
• Synonyms: Antibiotic A-30912A nucleus
• Molecular Formula: C₃₄H₅₁N₇O₁₅
• Molecular Weight: 797.81
• CAS Registry Number: 79411-15-7
• EC Number: 695-359-9
• SMILES: CC1CN2C(C1O)C(=O)NC(C(CC(C(=O)NC(C(=O)N3CC(CC3C(=O)NC(C(=O)NC(C2=O)C(C)O)C(C(C4=CC=C(C=C4)O)O)O)O)C(C)O)N)O)O

Properties

• Density: 1.6±0.1 g/cm³ Calc.^*
• Boiling point: 1330.8±65.0 °C 760 mmHg (Calc.)^*
• Flash point: 758.6±34.3 °C (Calc.)^*
• Index of refraction: 1.69 (Calc.)^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.

Safety Data

• Hazard Symbols: GHS07 Warning
• Risk Statements: H302
• Safety Statements: P264-P270-P301+P317-P330-P501

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Acute toxicity	Acute Tox.	4	H302

chemBlink Chemical Story

CAS 79411-15-7 is commonly called the echinocandin B nucleus or anidulafungin nucleus. PubChem identifies it as C34H51N7O15 with molecular weight about 797.8. Its importance comes from semisynthetic echinocandin chemistry. Natural echinocandin B contains a lipid side chain; controlled deacylation provides the complex cyclic-peptide nucleus, which can then be reacylated with a deliberately designed side chain. This strategy turned a fermentation-derived natural-product scaffold into a platform for modern antifungal medicines. For anidulafungin, the preserved nucleus is joined to a synthetic lipophilic terphenyl side chain. CAS 79411-15-7 is therefore not anidulafungin itself but a crucial manufacturing intermediate that preserves the difficult stereochemical architecture while allowing medicinal chemists to redesign the peripheral region.

The exact registry identity matters because free forms, salts, hydrates, stereoisomers, metabolites, intermediates and finished medicines can have separate CAS numbers even when their names are closely related. This distinction affects molecular weight, analytical standards, formulation, manufacturing specifications and interpretation of published data. A reliable database story therefore follows the exact substance rather than silently borrowing every property of a related compound.

Structure also shows how chemists use functional groups as deliberate tools. Aromatic and heterocyclic frameworks establish molecular shape and electronics, while amines, hydroxyl groups, carbonyls, carboxyl functions or ionic centers determine reactivity and intermolecular interactions. In multistep synthesis, a compound may be valuable precisely because one position can be transformed selectively while the rest of a complex framework survives.

Modern development is also an analytical-control problem. Researchers must establish identity and purity, distinguish relevant stereoisomers or salt forms, monitor process-related species and define reproducible specifications. These requirements explain why an intermediate, metabolite or reagent can be scientifically important even when it is never administered as an independent medicine.

A Chemical Story must distinguish documented use from structural possibility. A familiar scaffold may suggest an activity, but resemblance is not evidence that the exact CAS substance has been tested or approved for that purpose. Verified history and demonstrated applications therefore take priority over attractive but unsupported extrapolation.

Seen broadly, practical performance emerges from the entire molecular system rather than one recognizable group. Structure, stereochemistry, physical form, synthetic route, metabolism and reaction environment can all determine what a substance actually does. Connecting those molecular details to its documented role is what turns a registry entry into a meaningful chemical story.

The exact registry identity matters because free forms, salts, hydrates, stereoisomers, metabolites, intermediates and finished medicines can have separate CAS numbers even when their names are closely related. This distinction affects molecular weight, analytical standards, formulation, manufacturing specifications and interpretation of published data. A reliable database story therefore follows the exact substance rather than silently borrowing every property of a related compound.

Structure also shows how chemists use functional groups as deliberate tools. Aromatic and heterocyclic frameworks establish molecular shape and electronics, while amines, hydroxyl groups, carbonyls, carboxyl functions or ionic centers determine reactivity and intermolecular interactions. In multistep synthesis, a compound may be valuable precisely because one position can be transformed selectively while the rest of a complex framework survives.

Modern development is also an analytical-control problem. Researchers must establish identity and purity, distinguish relevant stereoisomers or salt forms, monitor process-related species and define reproducible specifications. These requirements explain why an intermediate, metabolite or reagent can be scientifically important even when it is never administered as an independent medicine.

References:
1. PubChem. Echinocandin B nucleus, CID 9875888.
2. Echinocandins as Biotechnological Tools for Treating Candida auris Infections. J Fungi. 2020.
3. Anidulafungin manufacturing literature on echinocandin B nucleus.

Read more stories