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Sphinganine-C17-1-phosphate

CAT: 0572-TRC-S680660-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-S680660-50MGSize:50 mg
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CAS Number
474923-29-0
Synonyms
(2S,3R)-2-Amino-1,3-heptadecanediol 1-(Dihydrogen Phosphate); (2S,3R)-2-Amino-3-hydroxyheptadecyl Dihydrogen Phosphate
Hazard Statement
No Data Available
Smiles
[C@H]([C@H](COP(=O)(O)O)N)(CCCCCCCCCCCCCC)O
Molecular Formula
C17H38NO5P
Molecular Weight
367.47
InChI
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
Additionnal Information
IUPAC name: (2S,3R)-2-amino-3-hydroxyheptadecyl dihydrogen phosphate

Chemical Information

Heptadecasphinganine-1-phosphate
CAS Number474923-29-0
PubChem CID3247041
IUPAC Name[(2S,3R)-2-amino-3-hydroxyheptadecyl] dihydrogen phosphate
Molecular FormulaC17H38NO5P
Molecular Weight367.5
XLogP1.9
Topological Polar Surface Area113
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count17
Heavy Atom Count24
Formal Charge0
Complexity324
SMILES
CCCCCCCCCCCCCC[C@H]([C@H](COP(=O)(O)O)N)O
InChI
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
InChIKey
RTCZJPCPBSBOKB-DLBZAZTESA-N
Chemical Structure
2D Structure
2D structure of Heptadecasphinganine-1-phosphate
CAS: 474923-29-0
CID: 3247041
Formula: C17H38NO5P
MW: 367.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight367.5
XLogP31.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count17
Exact Mass367.24876031
Monoisotopic Mass367.24876031
Topological Polar Surface Area113 Ų
Heavy Atom Count24
Formal Charge0
Complexity324
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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466424-01Sphinganine-C17-1-phosphate
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466423Sphinganine-C17
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