D-erythro-sphinganine-1-phosphate (C17 base) - ≥99% , CAS No.474923-29-0

CAS: 474923-29-0 Cat. No.: D130697 Peso molecular: 367.461 PubChem CID: 3247041

GRADE & PURITY ≥99%

Synonyms

Sphinganine-1-Phosphate (d17:0) | D-erythro-sphinganine-1-phosphate (C17 base) | LMSP01050008 | heptadecasphinganine-1-phosphate | SCHEMBL22910694 | 1,3-Heptadecanediol, 2-amino-, 1-(dihydrogen phosphate), (2S,3R)- | [(2S,3R)-2-amino-3-hydroxyheptadecyl]

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

Sphinganine-1-Phosphate (d17:0) | D-erythro-sphinganine-1-phosphate (C17 base) | LMSP01050008 | heptadecasphinganine-1-phosphate | SCHEMBL22910694 | 1, 3-Heptadecanediol, 2-amino-, 1-(dihydrogen phosphate), (2S, 3R)- | [(2S, 3R)-2-amino-3-hydroxyheptadecyl]

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: CCCCCCCCCCCCCCC(C(COP(=O)(O)O)N)O
• IUPAC Name: [(2S,3R)-2-amino-3-hydroxyheptadecyl] dihydrogen phosphate
• InChIKey: RTCZJPCPBSBOKB-DLBZAZTESA-N
• INCHI: 1S/C17H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)16(18)15-23-24(20,21)22/h16-17,19H,2-15,18H2,1H3,(H2,20,21,22)/t16-,17+/m0/s1
• Isómeros SMILES: CCCCCCCCCCCCCC[C@H]([C@H](COP(=O)(O)O)N)O
• PubChem CID: 3247041
• Peso molecular: 367.461

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Organic phosphoric acids and derivatives
      • Subclass Phosphate esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic phosphoric acids and derivatives
• Subclass: Phosphate esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Phosphoethanolamines
• Alternative Parents: Monoalkyl phosphates Secondary alcohols 1,2-aminoalcohols Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Phosphoethanolamine - Monoalkyl phosphate - Alkyl phosphate - 1,2-aminoalcohol - Secondary alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Primary amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phosphoethanolamines. These are compounds containing a phosphate linked to the second carbon of an ethanolamine.
• External Descriptors: Sphingoid base 1-phosphates

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

Propiedades químicas y físicas

• Peso molecular: 367.500 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 17
• Exact Mass: 367.249 Da
• Monoisotopic Mass: 367.249 Da
• Topological Polar Surface Area: 113.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 324.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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