Nudiposide - ≥98% , CAS No.62058-46-2

CAS: 62058-46-2 Cat. No.: N1248386 PubChem CID: 14521040

GRADE & PURITY ≥98%

Storage

Room temperature

Shipped In

Normal

Specifications

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Kanonisches Lächeln: COC1=CC(=CC(=C1O)OC)C2C(C(CC3=CC(=C(C(=C23)OC)O)OC)CO)COC4C(C(C(CO4)O)O)O
• IUPAC Name: (2R,3R,4S,5R)-2-[[(1R,2S,3S)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane-3,4,5-triol
• InChIKey: GWDZRGQRNHELQM-NHJKQUFYSA-N
• INCHI: 1S/C27H36O12/c1-34-17-7-13(8-18(35-2)23(17)31)20-15(10-38-27-25(33)22(30)16(29)11-39-27)14(9-28)5-12-6-19(36-3)24(32)26(37-4)21(12)20/h6-8,14-16,20,22,25,27-33H,5,9-11H2,1-4H3/t14-,15-,16-,20+,22+,25-,27-/m1/s1
• Isomere SMILES: COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]([C@H](CC3=CC(=C(C(=C23)OC)O)OC)CO)CO[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O
• Alternative CAS-Nummer: 62058-46-2
• PubChem CID: 14521040

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lignans, neolignans and related compounds
    • Klasse Lignan glycosides

• Kingdom: Organic compounds
• Superclass: Lignans, neolignans and related compounds
• Klasse: Lignan glycosides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Lignan glycosides
• Alternative Parents: Aryltetralin lignans O-glycosyl compounds Tetralins Pentoses Methoxyphenols Dimethoxybenzenes Anisoles Phenoxy compounds Alkyl aryl ethers Oxanes Secondary alcohols Acetals Polyols Oxacyclic compounds Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Lignan glycoside - 1-aryltetralin lignan - Glycosyl compound - O-glycosyl compound - Methoxyphenol - Pentose monosaccharide - M-dimethoxybenzene - Dimethoxybenzene - Tetralin - Anisole - Phenoxy compound - Methoxybenzene - Phenol ether - Phenol - Alkyl aryl ether - Oxane - Benzenoid - Monosaccharide - Monocyclic benzene moiety - Secondary alcohol - Polyol - Acetal - Oxacycle - Organoheterocyclic compound - Ether - Organooxygen compound - Alcohol - Primary alcohol - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as lignan glycosides. These are aromatic polycyclic compounds containing a carbohydrate component glycosidically linked to a lignan moiety. They include 1-aryltetralin lactones.
• External Descriptors: Not available

Data sources

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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 552.600 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 9
• Exact Mass: 552.221 Da
• Monoisotopic Mass: 552.221 Da
• Topological Polar Surface Area: 177.000 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 744.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 7
• 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

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What are the CAS number, molecular formula and molecular weight?

The CAS Number is 62058-46-2. InChIKey GWDZRGQRNHELQM-NHJKQUFYSA-N.

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