ethoxy-[(3R,4R,5S)-3,4,5-trihydroxy-6-(phenylmethoxyamino)hexyl]phosphinic acid

C15H26NO7P — CID 118433499

IUPACethoxy-[(3R,4R,5S)-3,4,5-trihydroxy-6-(phenylmethoxyamino)hexyl]phosphinic acid
SMILESCCOP(=O)(O)CC[C@@H](O)[C@@H](O)[C@@H](O)CNOCc1ccccc1
InChIInChI=1S/C15H26NO7P/c1-2-23-24(20,21)9-8-13(17)15(19)14(18)10-16-22-11-12-6-4-3-5-7-12/h3-7,13-19H,2,8-11H2,1H3,(H,20,21)/t13-,14+,15-/m1/s1
InChIKeyMMPFJUJGBHYDLE-QLFBSQMISA-N
MW363.35 g/mol
LogP0.40
Rot. Bonds12

About ethoxy-[(3R,4R,5S)-3,4,5-trihydroxy-6-(phenylmethoxyamino)hexyl]phosphinic acid

ethoxy-[(3R,4R,5S)-3,4,5-trihydroxy-6-(phenylmethoxyamino)hexyl]phosphinic acid (PubChem CID 118433499) has the molecular formula C15H26NO7P and a molecular weight of 363.35 g/mol. Its IUPAC name is ethoxy-[(3R,4R,5S)-3,4,5-trihydroxy-6-(phenylmethoxyamino)hexyl]phosphinic acid.

Molecular Properties

Compound Nameethoxy-[(3R,4R,5S)-3,4,5-trihydroxy-6-(phenylmethoxyamino)hexyl]phosphinic acid
PubChem CID118433499
Molecular FormulaC15H26NO7P
Molecular Weight363.35 g/mol
Exact Mass363.14
IUPAC Nameethoxy-[(3R,4R,5S)-3,4,5-trihydroxy-6-(phenylmethoxyamino)hexyl]phosphinic acid
SMILESCCOP(=O)(O)CC[C@@H](O)[C@@H](O)[C@@H](O)CNOCc1ccccc1
InChIInChI=1S/C15H26NO7P/c1-2-23-24(20,21)9-8-13(17)15(19)14(18)10-16-22-11-12-6-4-3-5-7-12/h3-7,13-19H,2,8-11H2,1H3,(H,20,21)/t13-,14+,15-/m1/s1
InChIKeyMMPFJUJGBHYDLE-QLFBSQMISA-N
XLogP0.40
TPSA128.48 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 50.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[(3R,4R,5S)-3,4,5-trihydroxy-6-(phenylmethoxyamino)hexyl]phosphonic acid
CID 142727369
1-diethoxyphosphoryl-N-phenylmethoxymethanamine
CID 11832560
(1S)-1-diethoxyphosphoryl-3-phenylmethoxypropan-1-ol
CID 134942131
2-methyl-3-(phenylmethoxyamino)propanoic acid
CID 21019710
ethoxy-[3-(phenylmethoxycarbonylamino)propyl]phosphinic acid
CID 89155670
2-phenylethyl(phenylmethoxy)phosphinic acid
CID 54325821
2,2-difluoro-N-phenylmethoxyethanamine
CID 64974244
3,3-dimethyl-1-(phenylmethoxyamino)butan-2-ol
CID 130501755
benzyl dihydrogen phosphate;ethoxyethane
CID 67119526
2-diphenylphosphorylethyl(ethoxy)phosphinic acid
CID 102209255
1-diethoxyphosphoryl-3-phenylpropan-1-ol
CID 12930490
dibenzyl [(2R,3S,4R)-2,3,4-trihydroxyhexyl] phosphate
CID 10669267

Frequently Asked Questions

What is the IUPAC name of ethoxy-[(3R,4R,5S)-3,4,5-trihydroxy-6-(phenylmethoxyamino)hexyl]phosphinic acid?
The IUPAC name of ethoxy-[(3R,4R,5S)-3,4,5-trihydroxy-6-(phenylmethoxyamino)hexyl]phosphinic acid (CID 118433499) is ethoxy-[(3R,4R,5S)-3,4,5-trihydroxy-6-(phenylmethoxyamino)hexyl]phosphinic acid.
What is the SMILES notation for ethoxy-[(3R,4R,5S)-3,4,5-trihydroxy-6-(phenylmethoxyamino)hexyl]phosphinic acid?
The canonical SMILES for ethoxy-[(3R,4R,5S)-3,4,5-trihydroxy-6-(phenylmethoxyamino)hexyl]phosphinic acid is CCOP(=O)(O)CC[C@@H](O)[C@@H](O)[C@@H](O)CNOCc1ccccc1.
What is the InChIKey of ethoxy-[(3R,4R,5S)-3,4,5-trihydroxy-6-(phenylmethoxyamino)hexyl]phosphinic acid?
The InChIKey is MMPFJUJGBHYDLE-QLFBSQMISA-N. The full InChI is InChI=1S/C15H26NO7P/c1-2-23-24(20,21)9-8-13(17)15(19)14(18)10-16-22-11-12-6-4-3-5-7-12/h3-7,13-19H,2,8-11H2,1H3,(H,20,21)/t13-,14+,15-/m1/s1.
What are the key properties of ethoxy-[(3R,4R,5S)-3,4,5-trihydroxy-6-(phenylmethoxyamino)hexyl]phosphinic acid?
ethoxy-[(3R,4R,5S)-3,4,5-trihydroxy-6-(phenylmethoxyamino)hexyl]phosphinic acid has a molecular weight of 363.35 g/mol, XLogP of 0.40, 12 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[(3R,4R,5S)-3,4,5-trihydroxy-6-(phenylmethoxyamino)hexyl]phosphinic acid is sourced from PubChem (CID 118433499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).