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C2 Ceramide-1-phosphate

CAT: 0024-sc-210987Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-210987Size:1 mg
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CAS Number
151729-55-4

Chemical Information

N-acetylsphingosine 1-phosphate

N-acetylsphingosine 1-phosphate is a N-acylsphingosine 1-phosphate in which the N-acyl group is specified as acetyl. It is functionally related to a N-acetylsphingosine. It is a conjugate acid of a N-acetylsphingosine 1-phosphate(2-).

CAS Number151729-55-4
PubChem CID15199918
IUPAC Name[(E,2S,3R)-2-acetamido-3-hydroxyoctadec-4-enyl] dihydrogen phosphate
Molecular FormulaC20H40NO6P
Molecular Weight421.5
XLogP4.4
Topological Polar Surface Area116
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count18
Heavy Atom Count28
Formal Charge0
Complexity466
SMILES
CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)NC(=O)C)O
InChI
InChI=1S/C20H40NO6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)19(21-18(2)22)17-27-28(24,25)26/h15-16,19-20,23H,3-14,17H2,1-2H3,(H,21,22)(H2,24,25,26)/b16-15+/t19-,20+/m0/s1
InChIKey
HWPZKJVGDYNEAW-QUDYQQOWSA-N
Chemical Structure
2D Structure
2D structure of N-acetylsphingosine 1-phosphate
CAS: 151729-55-4
CID: 15199918
Formula: C20H40NO6P
MW: 421.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight421.5
XLogP34.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count18
Exact Mass421.25932499
Monoisotopic Mass421.25932499
Topological Polar Surface Area116 Ų
Heavy Atom Count28
Formal Charge0
Complexity466
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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