D-erythro-sphingosine (C20 base) - ≥99% , CAS No.6918-49-6

CAS: 6918-49-6 Cat. No.: D130701 Formula: C₂₀H₄₁NO₂ Peso molecolare: 327.55

GRADE & PURITY ≥99%

Synonyms

2S-Amino-4E-eicosene-1,3R-diol | Sphingosine (d20:1) | D-erythro-Sphingosine C20

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinonimi

2S-Amino-4E-eicosene-1,3R-diol | Sphingosine (d20:1) | D-erythro-Sphingosine C20

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥99%

Nomi e identificatori

Sorrisi canonici

CCCCCCCCCCCCCCCC=CC(C(CO)N)O

IUPAC Name

(E,2S,3R)-2-aminoicos-4-ene-1,3-diol

InChIKey

HTJSZHKGNMXZJN-YIVRLKKSSA-N

INCHI

1S/C20H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(21)18-22/h16-17,19-20,22-23H,2-15,18,21H2,1H3/b17-16+/t19-,20+/m0/s1

Isomeri SMILES

CCCCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N)O

Peso molecolare

327.55

Reaxy-Rn

2417214

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2417214&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Amines
        • Level5 Alkanolamines
          • Level6 1,2-aminoalcohols

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Alkanolamines
• Direct Parent: 1,2-aminoalcohols
• Alternative Parents: Secondary alcohols Primary alcohols Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary alcohol - 1,2-aminoalcohol - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Primary alcohol - Organooxygen compound - Primary aliphatic amine - Alcohol - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as 1,2-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C2 atom.
• External Descriptors: sphingoid - aminodiol

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

Proprietà chimiche e fisiche

• Peso molecolare: 327.500 g/mol
• XLogP3: 6.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 17
• Exact Mass: 327.314 Da
• Monoisotopic Mass: 327.314 Da
• Topological Polar Surface Area: 66.500 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 256.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1