GS-441524 - Moligand™ , CAS No.G610675

CAS: G610675 Cat. No.: G610675 PubChem CID: 44468216

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AVAILABLE TO ORDER

GRADE & PURITY Moligand™ ?

Synonyms

1BQK176DT6 | BS-14744 | EN300-26870141 | AC-31365 | CHEBI:147281 | Z3952165305 | ZB1788 | reacted form | U08 | EN300-122591 | (2~{R},3~{R},4~{S},5~{R})-2-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolane-2-carbonitrile

Storage

Room temperature

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

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Why this grade

Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms

1BQK176DT6 | BS-14744 | EN300-26870141 | AC-31365 | CHEBI:147281 | Z3952165305 | ZB1788 | reacted form | U08 | EN300-122591 | (2~{R}, 3~{R}, 4~{S}, 5~{R})-2-(4-azanylpyrrolo[2, 1-f][1, 2, 4]triazin-7-yl)-5-(hydroxymethyl)-3, 4-bis(oxidanyl)oxolane-2-carbonitrile

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Names and Identifiers

Canonical Smiles	OC[C@H]1O[C@@]([C@@H]([C@@H]1O)O)(C#N)c1ccc2n1ncnc2N
InChIKey	BRDWIEOJOWJCLU-LTGWCKQJSA-N
INCHI	1S/C12H13N5O4/c13-4-12(10(20)9(19)7(3-18)21-12)8-2-1-6-11(14)15-5-16-17(6)8/h1-2,5,7,9-10,18-20H,3H2,(H2,14,15,16)/t7-,9-,10-,12+/m1/s1
Isomeric SMILES	C1=C2C(=NC=NN2C(=C1)[C@]3([C@@H]([C@@H]([C@H](O3)CO)O)O)C#N)N
PubChem CID	44468216

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbohydrates and carbohydrate conjugates
      - Level5 Glycosyl compounds
        Level6 C-glycosyl compounds

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbohydrates and carbohydrate conjugates
Intermediate Tree Nodes	Glycosyl compounds
Direct Parent	C-glycosyl compounds
Alternative Parents	Pentoses Pyrrolo[2,1-f][1,2,4]triazines Substituted pyrroles 1,2,4-triazines Imidolactams Oxolanes Heteroaromatic compounds Secondary alcohols 1,2-diols Azacyclic compounds Dialkyl ethers Oxacyclic compounds Nitriles Primary amines Hydrocarbon derivatives Primary alcohols
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	C-glycosyl compound - Pentose monosaccharide - Pyrrolo[2,1-f][1,2,4]triazine - Monosaccharide - Substituted pyrrole - Triazine - Imidolactam - 1,2,4-triazine - Heteroaromatic compound - Oxolane - Pyrrole - 1,2-diol - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Azacycle - Dialkyl ether - Ether - Carbonitrile - Nitrile - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Amine - Cyanide - Primary alcohol - Primary amine - Alcohol - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D Structure

Associated Targets(Human)

Caco-2 (12174 Activities)

Molecular Weight	291.260 g/mol
XLogP3	-1.400
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Exact Mass	291.097 Da
Monoisotopic Mass	291.097 Da
Topological Polar Surface Area	150.000 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	456.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1