5-[3-acetamido-4,5-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxypentoxy-methylphosphinic acid

C15H30NO9P — CID 169069416

IUPAC5-[3-acetamido-4,5-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxypentoxy-methylphosphinic acid
SMILESCOCC1OC(OCCCCCOP(C)(=O)O)C(NC(C)=O)C(O)C1O
InChIInChI=1S/C15H30NO9P/c1-10(17)16-12-14(19)13(18)11(9-22-2)25-15(12)23-7-5-4-6-8-24-26(3,20)21/h11-15,18-19H,4-9H2,1-3H3,(H,16,17)(H,20,21)
InChIKeyNWCLLZHDVZFKMY-UHFFFAOYSA-N
MW399.38 g/mol
LogP-0.40
Rot. Bonds11

About 5-[3-acetamido-4,5-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxypentoxy-methylphosphinic acid

5-[3-acetamido-4,5-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxypentoxy-methylphosphinic acid (PubChem CID 169069416) has the molecular formula C15H30NO9P and a molecular weight of 399.38 g/mol. Its IUPAC name is 5-[3-acetamido-4,5-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxypentoxy-methylphosphinic acid.

Molecular Properties

Compound Name5-[3-acetamido-4,5-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxypentoxy-methylphosphinic acid
PubChem CID169069416
Molecular FormulaC15H30NO9P
Molecular Weight399.38 g/mol
Exact Mass399.17
IUPAC Name5-[3-acetamido-4,5-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxypentoxy-methylphosphinic acid
SMILESCOCC1OC(OCCCCCOP(C)(=O)O)C(NC(C)=O)C(O)C1O
InChIInChI=1S/C15H30NO9P/c1-10(17)16-12-14(19)13(18)11(9-22-2)25-15(12)23-7-5-4-6-8-24-26(3,20)21/h11-15,18-19H,4-9H2,1-3H3,(H,16,17)(H,20,21)
InChIKeyNWCLLZHDVZFKMY-UHFFFAOYSA-N
XLogP-0.40
TPSA143.78 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.38
LogP ≤ 5-0.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-[3-acetamido-4,5-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxypentoxy-methylphosphinic 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

N-[(2R,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-(5-sulfanylpentoxy)oxan-3-yl]acetamide
CID 88953091
N-[4,5-dihydroxy-6-(hydroxymethyl)-2-octadecoxyoxan-3-yl]acetamide
CID 22465082
N-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-octoxyoxan-3-yl]acetamide
CID 125463198
N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-octoxyoxan-2-yl]methoxy]oxan-3-yl]acetamide
CID 102010240
N-[(2R,3R,4R,5S,6R)-2-(5-aminopentoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 101053297
[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(2-methoxyethoxy)oxan-3-yl]oxy-methylphosphinic acid
CID 169069392
N-[(2R,3S,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-pentoxyoxan-3-yl]acetamide
CID 7155080
[(2R,3S,4R,5S,6S)-5-acetamido-6-(2-aminoethoxy)-3,4-dihydroxyoxan-2-yl]methyl [(2R,3S,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate
CID 101205392
N-[(2R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-[2-[2-[2-[2-[2-(10-sulfanyldecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxan-3-yl]acetamide
CID 88559411
ethyl 9-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoate
CID 54189846
N-[4,5-dihydroxy-6-(hydroxymethyl)-2-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-oxohexoxy]oxan-3-yl]acetamide
CID 134259939
2-[[13-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxotridecanoyl]-[2-[2-[[13-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxotridecanoyl]-(2-hydroxyethyl)amino]ethoxy-hydroxyphosphoryl]oxyethyl]amino]ethyl 2-[[13-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxotridecanoyl]-(2-methoxyethyl)amino]ethyl hydrogen phosphate;ethane;2-methylpropane
CID 159948955

Frequently Asked Questions

What is the IUPAC name of 5-[3-acetamido-4,5-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxypentoxy-methylphosphinic acid?
The IUPAC name of 5-[3-acetamido-4,5-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxypentoxy-methylphosphinic acid (CID 169069416) is 5-[3-acetamido-4,5-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxypentoxy-methylphosphinic acid.
What is the SMILES notation for 5-[3-acetamido-4,5-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxypentoxy-methylphosphinic acid?
The canonical SMILES for 5-[3-acetamido-4,5-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxypentoxy-methylphosphinic acid is COCC1OC(OCCCCCOP(C)(=O)O)C(NC(C)=O)C(O)C1O.
What is the InChIKey of 5-[3-acetamido-4,5-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxypentoxy-methylphosphinic acid?
The InChIKey is NWCLLZHDVZFKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30NO9P/c1-10(17)16-12-14(19)13(18)11(9-22-2)25-15(12)23-7-5-4-6-8-24-26(3,20)21/h11-15,18-19H,4-9H2,1-3H3,(H,16,17)(H,20,21).
What are the key properties of 5-[3-acetamido-4,5-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxypentoxy-methylphosphinic acid?
5-[3-acetamido-4,5-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxypentoxy-methylphosphinic acid has a molecular weight of 399.38 g/mol, XLogP of -0.40, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-acetamido-4,5-dihydroxy-6-(methoxymethyl)oxan-2-yl]oxypentoxy-methylphosphinic acid is sourced from PubChem (CID 169069416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).