2-[5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-4-yl]oxyethoxy-ethylphosphinic acid

C18H36NO10P — CID 171600635

IUPAC2-[5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-4-yl]oxyethoxy-ethylphosphinic acid
SMILESCCP(=O)(O)OCCOC1C(O)C(CO)OC(OCCOC(C)(C)C)C1NC(C)=O
InChIInChI=1S/C18H36NO10P/c1-6-30(23,24)28-10-8-25-16-14(19-12(2)21)17(29-13(11-20)15(16)22)26-7-9-27-18(3,4)5/h13-17,20,22H,6-11H2,1-5H3,(H,19,21)(H,23,24)
InChIKeyHPFBQVZTSKFEMQ-UHFFFAOYSA-N
MW457.46 g/mol
LogP0.01
Rot. Bonds12

About 2-[5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-4-yl]oxyethoxy-ethylphosphinic acid

2-[5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-4-yl]oxyethoxy-ethylphosphinic acid (PubChem CID 171600635) has the molecular formula C18H36NO10P and a molecular weight of 457.46 g/mol. Its IUPAC name is 2-[5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-4-yl]oxyethoxy-ethylphosphinic acid.

Molecular Properties

Compound Name2-[5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-4-yl]oxyethoxy-ethylphosphinic acid
PubChem CID171600635
Molecular FormulaC18H36NO10P
Molecular Weight457.46 g/mol
Exact Mass457.21
IUPAC Name2-[5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-4-yl]oxyethoxy-ethylphosphinic acid
SMILESCCP(=O)(O)OCCOC1C(O)C(CO)OC(OCCOC(C)(C)C)C1NC(C)=O
InChIInChI=1S/C18H36NO10P/c1-6-30(23,24)28-10-8-25-16-14(19-12(2)21)17(29-13(11-20)15(16)22)26-7-9-27-18(3,4)5/h13-17,20,22H,6-11H2,1-5H3,(H,19,21)(H,23,24)
InChIKeyHPFBQVZTSKFEMQ-UHFFFAOYSA-N
XLogP0.01
TPSA153.01 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.46
LogP ≤ 50.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-[5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-4-yl]oxyethoxy-ethylphosphinic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-3-yl]oxyethoxy-propan-2-ylphosphinic acid
CID 153447669
N-[(3R,4R,5S,6R)-2-(2-ethoxyethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 174993947
N-[(2R,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-propoxyoxan-3-yl]acetamide
CID 118054664
[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(2-methoxyethoxy)oxan-3-yl]oxy-methylphosphinic acid
CID 169069392
2-[5-amino-4-hydroxy-2-(hydroxymethyl)-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-3-yl]oxyethoxy-tert-butylphosphinic acid
CID 153447698
N-[(2R,3S,4S,5R,6S)-5-hydroxy-6-(hydroxymethyl)-2-octoxy-4-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
CID 124914572
N-[2-[(3S,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3,3-dimethylbutanamide
CID 162475803
N-[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(2-propoxyethoxy)ethoxy]oxan-3-yl]acetamide
CID 169238857
N-[(2R,3R,4R,5S,6R)-2-ethoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 7573789
N-[(2R,4R,5S)-2-(3-azidopropoxy)-5-hydroxy-6-(hydroxymethyl)-4-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
CID 176767604
N-[(2R,3S,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-pentoxyoxan-3-yl]acetamide
CID 7155080
N-[(2R,3R,4R,5R,6R)-2-aminooxy-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
CID 11176974

Frequently Asked Questions

What is the IUPAC name of 2-[5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-4-yl]oxyethoxy-ethylphosphinic acid?
The IUPAC name of 2-[5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-4-yl]oxyethoxy-ethylphosphinic acid (CID 171600635) is 2-[5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-4-yl]oxyethoxy-ethylphosphinic acid.
What is the SMILES notation for 2-[5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-4-yl]oxyethoxy-ethylphosphinic acid?
The canonical SMILES for 2-[5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-4-yl]oxyethoxy-ethylphosphinic acid is CCP(=O)(O)OCCOC1C(O)C(CO)OC(OCCOC(C)(C)C)C1NC(C)=O.
What is the InChIKey of 2-[5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-4-yl]oxyethoxy-ethylphosphinic acid?
The InChIKey is HPFBQVZTSKFEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36NO10P/c1-6-30(23,24)28-10-8-25-16-14(19-12(2)21)17(29-13(11-20)15(16)22)26-7-9-27-18(3,4)5/h13-17,20,22H,6-11H2,1-5H3,(H,19,21)(H,23,24).
What are the key properties of 2-[5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-4-yl]oxyethoxy-ethylphosphinic acid?
2-[5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-4-yl]oxyethoxy-ethylphosphinic acid has a molecular weight of 457.46 g/mol, XLogP of 0.01, 12 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-4-yl]oxyethoxy-ethylphosphinic acid is sourced from PubChem (CID 171600635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).