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D-ribo Phytosphingosine 1-Phosphate

CAT: 0024-sc-207480Size: 1 mgDry Ice: NoHazardous: No
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CAS Number
38597-28-3

Chemical Information

Phytosphingosine 1-phosphate

Phytosphingosine 1-phosphate is a phosphosphingolipid that is phytosphingosine bearing a phospho group at position 1. It has a role as a Saccharomyces cerevisiae metabolite. It is functionally related to a phytosphingosine. It is a conjugate acid of a phytosphingosine 1-phosphate(1-).

CAS Number38597-28-3
PubChem CID10883829
IUPAC Name[(2S,3S,4R)-2-amino-3,4-dihydroxyoctadecyl] dihydrogen phosphate
Molecular FormulaC18H40NO6P
Molecular Weight397.5
XLogP1.3
Topological Polar Surface Area133
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count18
Heavy Atom Count26
Formal Charge0
Complexity366
SMILES
CCCCCCCCCCCCCC[C@H]([C@H]([C@H](COP(=O)(O)O)N)O)O
InChI
InChI=1S/C18H40NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(20)18(21)16(19)15-25-26(22,23)24/h16-18,20-21H,2-15,19H2,1H3,(H2,22,23,24)/t16-,17+,18-/m0/s1
InChIKey
AYGOSKULTISFCW-KSZLIROESA-N
Chemical Structure
2D Structure
2D structure of Phytosphingosine 1-phosphate
CAS: 38597-28-3
CID: 10883829
Formula: C18H40NO6P
MW: 397.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight397.5
XLogP31.3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count18
Exact Mass397.25932499
Monoisotopic Mass397.25932499
Topological Polar Surface Area133 Ų
Heavy Atom Count26
Formal Charge0
Complexity366
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes