N-神经酰-D-鞘氨醇

Description

N-nervonoyl-D-sphingosine · CAS 54164-50-0 · C42H81NO3. UNII HMS3649E09.

Identification

CAS Registry Number	54164-50-0
PubChem CID	5283568
Molecular formula	C42H81NO3
IUPAC name	(Z)-N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]tetracos-15-enamide
UNII (FDA)	HMS3649E09

Computed Descriptors

Molecular Weight	648.1
XLogP3	16.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	37
Exact Mass	647.62164545
Monoisotopic Mass	647.62164545
Topological Polar Surface Area	69.6
Heavy Atom Count	46
Formal Charge	0

Physical description & handling notes

• Solid
• Insoluble
• 279.7 Ų [M+CH3COO]- [CCS Type: DT; Buffer gas: N2; Sample Type: Human bronchoalveolar lavage fluid (BALF); Dataset: Sphingolipids]
• 276.3 Ų [M+HCOO]- [CCS Type: DT; Buffer gas: N2; Sample Type: Human bronchoalveolar lavage fluid (BALF); Dataset: Sphingolipids]
• 268.8 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Sample Type: Human bronchoalveolar lavage fluid (BALF); Dataset: Sphingolipids]

Synonyms

Cer(d18:1/24:1(15Z)); (Z)-N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]tetracos-15-enamide; (Z)-N-((E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl)tetracos-15-enamide; RefChem:1081345; 54164-50-0; Nervonic Ceramide; C24:1 Ceramide; C24:1-Ceramide; N-Nervonoyl-D-sphingosine; N-nervonoyl-D-erythro-sphingosine; C24:1 Cer; N-(15Z-tetracosenoyl)-sphing-4-enine; (Z)-N-((2S,3R,E)-1,3-dihydroxyoctadec-4-en-2-yl)tetracos-15-enamide; N-(15Z)-tetracosenoylsphingosine; C42H81NO3; C24:1 Ceramide (d18:1/24:1(15Z))

Frequently Asked Questions

What are the CAS number and molecular formula of N-nervonoyl-D-sphingosine?

CAS 54164-50-0; molecular formula C42H81NO3; molecular weight — g/mol.

What other names is N-nervonoyl-D-sphingosine known by?

Cer(d18:1/24:1(15Z)), (Z)-N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]tetracos-15-enamide, (Z)-N-((E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl)tetracos-15-enamide, RefChem:1081345, 54164-50-0, Nervonic Ceramide.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.