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Phosphorylethanolamine-d4

CAT: 0024-sc-478647Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-478647Size:1 mg
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CAS Number
1169692-38-9

Chemical Information

2-Amino(~2~H_4_)ethyl dihydrogen phosphate

See also: PE 104 (annotation moved to); Phosphoethanolamine (annotation moved to).

CAS Number1169692-38-9
PubChem CID25170297
IUPAC Name(2-amino-1,1,2,2-tetradeuterioethyl) dihydrogen phosphate
Molecular FormulaC2H8NO4P
Molecular Weight145.09
XLogP-4.8
Topological Polar Surface Area92.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count8
Formal Charge0
Complexity98
SMILES
[2H]C([2H])(C([2H])([2H])OP(=O)(O)O)N
InChI
InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)/i1D2,2D2
InChIKey
SUHOOTKUPISOBE-LNLMKGTHSA-N
Chemical Structure
2D Structure
2D structure of 2-Amino(~2~H_4_)ethyl dihydrogen phosphate
CAS: 1169692-38-9
CID: 25170297
Formula: C2H8NO4P
MW: 145.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight145.09
XLogP3-4.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass145.04420172
Monoisotopic Mass145.04420172
Topological Polar Surface Area92.8 Ų
Heavy Atom Count8
Formal Charge0
Complexity98.2
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
TRC-P360902-1MGPhosphorylethanolamine-d4
T4881Phosphorylethanolamine
MBS3609531-01O-Phosphorylethanolamine
FC172055-01Cholesteryl-phosphorylethanolamine
HY-N5034R-01Phosphorylethanolamine (Standard)
BIB6033Cholesteryl phosphorylethanolamine
20111010-2O-Phosphorylethanolamine Separopore® 6B

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