[(3R,4R,5S)-6-[formyl(phenylmethoxy)amino]-3,4,5-trihydroxyhexyl]-methoxy-oxophosphanium

C15H23NO7P+ — CID 90138759

IUPAC[(3R,4R,5S)-6-[formyl(phenylmethoxy)amino]-3,4,5-trihydroxyhexyl]-methoxy-oxophosphanium
SMILESCO[P+](=O)CC[C@@H](O)[C@@H](O)[C@@H](O)CN(C=O)OCc1ccccc1
InChIInChI=1S/C15H23NO7P/c1-22-24(21)8-7-13(18)15(20)14(19)9-16(11-17)23-10-12-5-3-2-4-6-12/h2-6,11,13-15,18-20H,7-10H2,1H3/q+1/t13-,14+,15-/m1/s1
InChIKeyULLYYNLVOXNKJO-QLFBSQMISA-N
MW360.32 g/mol
LogP0.44
Rot. Bonds12

About [(3R,4R,5S)-6-[formyl(phenylmethoxy)amino]-3,4,5-trihydroxyhexyl]-methoxy-oxophosphanium

[(3R,4R,5S)-6-[formyl(phenylmethoxy)amino]-3,4,5-trihydroxyhexyl]-methoxy-oxophosphanium (PubChem CID 90138759) has the molecular formula C15H23NO7P+ and a molecular weight of 360.32 g/mol. Its IUPAC name is [(3R,4R,5S)-6-[formyl(phenylmethoxy)amino]-3,4,5-trihydroxyhexyl]-methoxy-oxophosphanium.

Molecular Properties

Compound Name[(3R,4R,5S)-6-[formyl(phenylmethoxy)amino]-3,4,5-trihydroxyhexyl]-methoxy-oxophosphanium
PubChem CID90138759
Molecular FormulaC15H23NO7P+
Molecular Weight360.32 g/mol
Exact Mass360.12
IUPAC Name[(3R,4R,5S)-6-[formyl(phenylmethoxy)amino]-3,4,5-trihydroxyhexyl]-methoxy-oxophosphanium
SMILESCO[P+](=O)CC[C@@H](O)[C@@H](O)[C@@H](O)CN(C=O)OCc1ccccc1
InChIInChI=1S/C15H23NO7P/c1-22-24(21)8-7-13(18)15(20)14(19)9-16(11-17)23-10-12-5-3-2-4-6-12/h2-6,11,13-15,18-20H,7-10H2,1H3/q+1/t13-,14+,15-/m1/s1
InChIKeyULLYYNLVOXNKJO-QLFBSQMISA-N
XLogP0.44
TPSA116.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

sodium [(3R,4R,5S)-1,1-difluoro-6-[formyl(phenylmethoxy)amino]-3,4,5-trihydroxyhexyl]-ethoxyphosphinate
CID 131744078
2-[[formyl(phenylmethoxy)amino]methyl]hexanoic acid
CID 22256535
[4-[formyl(phenylmethoxy)amino]-2-methyl-1-phosphonobutyl]phosphonic acid
CID 90923448
4-[formyl(phenylmethoxy)amino]-2-hydroxybutanoic acid
CID 21475226
2-[[formyl(phenylmethoxy)amino]methyl]-4-methylpentanoic acid
CID 19367512
N-[(2S,3S,4R)-5-hydroxy-6-[methyl(phenylmethoxy)phosphoryl]-2,3,4-tris(phenylmethoxy)hexyl]-N-phenylmethoxyformamide
CID 118442114
N-pentyl-N-phenylmethoxyformamide
CID 88956477
2-benzyl-3-[formyl(phenylmethoxy)amino]propanoic acid;2-benzyl-4-phenylbutanoic acid;nitroxyl
CID 167543833
N-(4-hydroxybutyl)-N-phenylmethoxyformamide
CID 87139283
N-[(E,2R,3S,4R)-6-dimethoxyphosphoryl-2,3,4-tris(phenylmethoxy)hex-5-enyl]-N-phenylmethoxyformamide
CID 118433503
(2,3,4,5,6-pentafluorophenyl) 2-[[formyl(phenylmethoxy)amino]methyl]hexanoate
CID 22096238
N-(8-hydroxyoctyl)-N-phenylmethoxyformamide
CID 57042155

Frequently Asked Questions

What is the IUPAC name of [(3R,4R,5S)-6-[formyl(phenylmethoxy)amino]-3,4,5-trihydroxyhexyl]-methoxy-oxophosphanium?
The IUPAC name of [(3R,4R,5S)-6-[formyl(phenylmethoxy)amino]-3,4,5-trihydroxyhexyl]-methoxy-oxophosphanium (CID 90138759) is [(3R,4R,5S)-6-[formyl(phenylmethoxy)amino]-3,4,5-trihydroxyhexyl]-methoxy-oxophosphanium.
What is the SMILES notation for [(3R,4R,5S)-6-[formyl(phenylmethoxy)amino]-3,4,5-trihydroxyhexyl]-methoxy-oxophosphanium?
The canonical SMILES for [(3R,4R,5S)-6-[formyl(phenylmethoxy)amino]-3,4,5-trihydroxyhexyl]-methoxy-oxophosphanium is CO[P+](=O)CC[C@@H](O)[C@@H](O)[C@@H](O)CN(C=O)OCc1ccccc1.
What is the InChIKey of [(3R,4R,5S)-6-[formyl(phenylmethoxy)amino]-3,4,5-trihydroxyhexyl]-methoxy-oxophosphanium?
The InChIKey is ULLYYNLVOXNKJO-QLFBSQMISA-N. The full InChI is InChI=1S/C15H23NO7P/c1-22-24(21)8-7-13(18)15(20)14(19)9-16(11-17)23-10-12-5-3-2-4-6-12/h2-6,11,13-15,18-20H,7-10H2,1H3/q+1/t13-,14+,15-/m1/s1.
What are the key properties of [(3R,4R,5S)-6-[formyl(phenylmethoxy)amino]-3,4,5-trihydroxyhexyl]-methoxy-oxophosphanium?
[(3R,4R,5S)-6-[formyl(phenylmethoxy)amino]-3,4,5-trihydroxyhexyl]-methoxy-oxophosphanium has a molecular weight of 360.32 g/mol, XLogP of 0.44, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R,5S)-6-[formyl(phenylmethoxy)amino]-3,4,5-trihydroxyhexyl]-methoxy-oxophosphanium is sourced from PubChem (CID 90138759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).