(4-acetamido-1-amino-3,5-dihydroxypentan-2-yl)oxy-methylphosphinic acid

C8H19N2O6P — CID 118013435

IUPAC(4-acetamido-1-amino-3,5-dihydroxypentan-2-yl)oxy-methylphosphinic acid
SMILESCC(=O)NC(CO)C(O)C(CN)OP(C)(=O)O
InChIInChI=1S/C8H19N2O6P/c1-5(12)10-6(4-11)8(13)7(3-9)16-17(2,14)15/h6-8,11,13H,3-4,9H2,1-2H3,(H,10,12)(H,14,15)
InChIKeyIXODKHHXXZOPAI-UHFFFAOYSA-N
MW270.22 g/mol
LogP-2.00
Rot. Bonds7

About (4-acetamido-1-amino-3,5-dihydroxypentan-2-yl)oxy-methylphosphinic acid

(4-acetamido-1-amino-3,5-dihydroxypentan-2-yl)oxy-methylphosphinic acid (PubChem CID 118013435) has the molecular formula C8H19N2O6P and a molecular weight of 270.22 g/mol. Its IUPAC name is (4-acetamido-1-amino-3,5-dihydroxypentan-2-yl)oxy-methylphosphinic acid.

Molecular Properties

Compound Name(4-acetamido-1-amino-3,5-dihydroxypentan-2-yl)oxy-methylphosphinic acid
PubChem CID118013435
Molecular FormulaC8H19N2O6P
Molecular Weight270.22 g/mol
Exact Mass270.10
IUPAC Name(4-acetamido-1-amino-3,5-dihydroxypentan-2-yl)oxy-methylphosphinic acid
SMILESCC(=O)NC(CO)C(O)C(CN)OP(C)(=O)O
InChIInChI=1S/C8H19N2O6P/c1-5(12)10-6(4-11)8(13)7(3-9)16-17(2,14)15/h6-8,11,13H,3-4,9H2,1-2H3,(H,10,12)(H,14,15)
InChIKeyIXODKHHXXZOPAI-UHFFFAOYSA-N
XLogP-2.00
TPSA142.11 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.22
LogP ≤ 5-2.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[(2R,3S,4R,5S)-5-acetamido-2,3,4,6-tetrahydroxy-hexyl] dihydrogen phosphate
CID 504706
[(2R,3S,4R,5S)-5-acetamido-2,3,4,6-tetrahydroxy-hexyl] dimethyl phosphate
CID 504712
[(2R,3S,4R,5S)-5-acetamido-2,3,4,6-tetrahydroxy-hexyl] diethyl phosphate
CID 504714
[(2R,3S,4R,5S)-5-acetamido-2,3,4,6-tetrahydroxy-hexyl] ethyl hydrogen phosphate
CID 504715
5-(Acetylamino)-5-deoxy-1-O-phosphono-L-iditol
CID 44223986
[(2S,3R)-2-acetamido-3-hydroxyhexyl] dihydrogen phosphate
CID 71604350
(5-Acetamido-4,6,7-trihydroxyoctyl) dihydrogen phosphate
CID 88867230
(5-Acetamido-3-hydroxypentoxy)-methylphosphinic acid
CID 88868590
(5-Acetamido-1,2,4,6-tetrahydroxyhexan-3-yl)oxy-methylphosphinic acid
CID 118013429
(5-Acetamido-6-amino-1,2,4-trihydroxyhexan-3-yl)oxy-methylphosphinic acid
CID 118013433
(5-Acetamido-1,2,4,6-tetrahydroxyhexan-3-yl)oxy-hydroxy-oxophosphanium
CID 123735609
N-[3-hydroxy-1-[(2-oxo-1,3,2lambda5-dioxaphospholan-2-yl)oxy]hexan-2-yl]acetamide
CID 123865959

Frequently Asked Questions

What is the IUPAC name of (4-acetamido-1-amino-3,5-dihydroxypentan-2-yl)oxy-methylphosphinic acid?
The IUPAC name of (4-acetamido-1-amino-3,5-dihydroxypentan-2-yl)oxy-methylphosphinic acid (CID 118013435) is (4-acetamido-1-amino-3,5-dihydroxypentan-2-yl)oxy-methylphosphinic acid.
What is the SMILES notation for (4-acetamido-1-amino-3,5-dihydroxypentan-2-yl)oxy-methylphosphinic acid?
The canonical SMILES for (4-acetamido-1-amino-3,5-dihydroxypentan-2-yl)oxy-methylphosphinic acid is CC(=O)NC(CO)C(O)C(CN)OP(C)(=O)O.
What is the InChIKey of (4-acetamido-1-amino-3,5-dihydroxypentan-2-yl)oxy-methylphosphinic acid?
The InChIKey is IXODKHHXXZOPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N2O6P/c1-5(12)10-6(4-11)8(13)7(3-9)16-17(2,14)15/h6-8,11,13H,3-4,9H2,1-2H3,(H,10,12)(H,14,15).
What are the key properties of (4-acetamido-1-amino-3,5-dihydroxypentan-2-yl)oxy-methylphosphinic acid?
(4-acetamido-1-amino-3,5-dihydroxypentan-2-yl)oxy-methylphosphinic acid has a molecular weight of 270.22 g/mol, XLogP of -2.00, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetamido-1-amino-3,5-dihydroxypentan-2-yl)oxy-methylphosphinic acid is sourced from PubChem (CID 118013435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).