(2S,3S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-hydroxy-3-(3-(trifluoromethyl)phenyl)propanoic acid - ≥98% , CAS No.959581-13-6

CAS: 959581-13-6 Cat. No.: S1005472 Peso molecular: 471.44 PubChem CID: 2762329
Disponible para pedir
GRADE & PURITY ≥98%
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1g
S1005472-1g
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800,90US$
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Why this grade

≥98% 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

Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Room temperature
Pureza
≥98%
Nombres e identificadores
Sonrisas canónicasC1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(C4=CC(=CC=C4)C(F)(F)F)C(C(=O)O)O
IUPAC Name(2S,3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxy-3-[3-(trifluoromethyl)phenyl]propanoic acid
InChIKeyVUIBKTYRRWBXET-VXKWHMMOSA-N
INCHI1S/C25H20F3NO5/c26-25(27,28)15-7-5-6-14(12-15)21(22(30)23(31)32)29-24(33)34-13-20-18-10-3-1-8-16(18)17-9-2-4-11-19(17)20/h1-12,20-22,30H,13H2,(H,29,33)(H,31,32)/t21-,22-/m0/s1
Isómeros SMILES C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](C4=CC(=CC=C4)C(F)(F)F)[C@@H](C(=O)O)O
PubChem CID 2762329
Peso molecular 471.44

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.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClaseFluorenes
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentFluorenes
Alternative Parents Phenylpropanoic acids  Trifluoromethylbenzenes  Alpha hydroxy acids and derivatives  Monosaccharides  Carbamate esters  Secondary alcohols  Organic carbonic acids and derivatives  Carboxylic acids  Monocarboxylic acids and derivatives  Organopnictogen compounds  Hydrocarbon derivatives  Alkyl fluorides  Carbonyl compounds  Organonitrogen compounds  Organofluorides  Organic oxides  
Molecular FrameworkAromatic homopolycyclic compounds
Substituents Fluorene - 3-phenylpropanoic-acid - Trifluoromethylbenzene - Alpha-hydroxy acid - Monocyclic benzene moiety - Hydroxy acid - Monosaccharide - Carbamic acid ester - Carbonic acid derivative - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Alkyl fluoride - Alcohol - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organopnictogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Organooxygen compound - Aromatic homopolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular471.400 g/mol
XLogP34.400
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass471.129 Da
Monoisotopic Mass471.129 Da
Topological Polar Surface Area95.900 Ų
Heavy Atom Count34
Formal Charge0
Complexity710.000
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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