(1-amino-2-hydroxyethyl) dihydrogen phosphate

C2H8NO5P — CID 139774346

IUPAC(1-amino-2-hydroxyethyl) dihydrogen phosphate
SMILESNC(CO)OP(=O)(O)O
InChIInChI=1S/C2H8NO5P/c3-2(1-4)8-9(5,6)7/h2,4H,1,3H2,(H2,5,6,7)
InChIKeyGFPJZQJBBNYAAO-UHFFFAOYSA-N
MW157.06 g/mol
LogP-1.63
Rot. Bonds3

About (1-amino-2-hydroxyethyl) dihydrogen phosphate

(1-amino-2-hydroxyethyl) dihydrogen phosphate (PubChem CID 139774346) has the molecular formula C2H8NO5P and a molecular weight of 157.06 g/mol. Its IUPAC name is (1-amino-2-hydroxyethyl) dihydrogen phosphate.

Molecular Properties

Compound Name(1-amino-2-hydroxyethyl) dihydrogen phosphate
PubChem CID139774346
Molecular FormulaC2H8NO5P
Molecular Weight157.06 g/mol
Exact Mass157.01
IUPAC Name(1-amino-2-hydroxyethyl) dihydrogen phosphate
SMILESNC(CO)OP(=O)(O)O
InChIInChI=1S/C2H8NO5P/c3-2(1-4)8-9(5,6)7/h2,4H,1,3H2,(H2,5,6,7)
InChIKeyGFPJZQJBBNYAAO-UHFFFAOYSA-N
XLogP-1.63
TPSA113.01 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.06
LogP ≤ 5-1.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(1-amino-2-iodoethyl) dihydrogen phosphate
CID 134603273
(1-amino-2-methoxyethyl) dihydrogen phosphate
CID 175014739
1,3-dihydroxypropan-2-yl dihydrogen phosphate;hydrate
CID 87339506
disodium;1,3-dihydroxypropan-2-yl dihydrogen phosphate;hydrogen phosphate
CID 172694336
[(2S,3S)-1,2,3,4-tetrahydroxybutyl] dihydrogen phosphate
CID 174690101
[(2R)-1,5-dihydroxypentan-2-yl] dihydrogen phosphate
CID 11820087
potassium;hydride;propan-2-yl dihydrogen phosphate
CID 173374044
[(2R,3R)-3-amino-2,4-dihydroxybutyl] dihydrogen phosphate
CID 89155758
[(2S)-2-amino-3-hydroxy-1-(1-phosphonooxypropan-2-yloxy)propyl] dihydrogen phosphate
CID 87393486
[(2R,3S)-1,3,4-trihydroxy-3-methylbutan-2-yl] dihydrogen phosphate
CID 130248101
1-phosphonooxyethyl dihydrogen phosphate
CID 14930911
[(2R,3R,4R)-4,5-dihydroxy-1-oxo-2-phosphonooxypentan-3-yl] dihydrogen phosphate
CID 20845992

Frequently Asked Questions

What is the IUPAC name of (1-amino-2-hydroxyethyl) dihydrogen phosphate?
The IUPAC name of (1-amino-2-hydroxyethyl) dihydrogen phosphate (CID 139774346) is (1-amino-2-hydroxyethyl) dihydrogen phosphate.
What is the SMILES notation for (1-amino-2-hydroxyethyl) dihydrogen phosphate?
The canonical SMILES for (1-amino-2-hydroxyethyl) dihydrogen phosphate is NC(CO)OP(=O)(O)O.
What is the InChIKey of (1-amino-2-hydroxyethyl) dihydrogen phosphate?
The InChIKey is GFPJZQJBBNYAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8NO5P/c3-2(1-4)8-9(5,6)7/h2,4H,1,3H2,(H2,5,6,7).
What are the key properties of (1-amino-2-hydroxyethyl) dihydrogen phosphate?
(1-amino-2-hydroxyethyl) dihydrogen phosphate has a molecular weight of 157.06 g/mol, XLogP of -1.63, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-2-hydroxyethyl) dihydrogen phosphate is sourced from PubChem (CID 139774346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).