[(3R,5R)-6-[formyl(hydroxy)amino]-3,5-dihydroxyhexyl]phosphonic acid

C7H16NO7P — CID 118433475

IUPAC[(3R,5R)-6-[formyl(hydroxy)amino]-3,5-dihydroxyhexyl]phosphonic acid
SMILESO=CN(O)C[C@H](O)C[C@@H](O)CCP(=O)(O)O
InChIInChI=1S/C7H16NO7P/c9-5-8(12)4-7(11)3-6(10)1-2-16(13,14)15/h5-7,10-12H,1-4H2,(H2,13,14,15)/t6-,7+/m0/s1
InChIKeyGOVMEJHTXIFUEW-NKWVEPMBSA-N
MW257.18 g/mol
LogP-1.49
Rot. Bonds8

About [(3R,5R)-6-[formyl(hydroxy)amino]-3,5-dihydroxyhexyl]phosphonic acid

[(3R,5R)-6-[formyl(hydroxy)amino]-3,5-dihydroxyhexyl]phosphonic acid (PubChem CID 118433475) has the molecular formula C7H16NO7P and a molecular weight of 257.18 g/mol. Its IUPAC name is [(3R,5R)-6-[formyl(hydroxy)amino]-3,5-dihydroxyhexyl]phosphonic acid.

Molecular Properties

Compound Name[(3R,5R)-6-[formyl(hydroxy)amino]-3,5-dihydroxyhexyl]phosphonic acid
PubChem CID118433475
Molecular FormulaC7H16NO7P
Molecular Weight257.18 g/mol
Exact Mass257.07
IUPAC Name[(3R,5R)-6-[formyl(hydroxy)amino]-3,5-dihydroxyhexyl]phosphonic acid
SMILESO=CN(O)C[C@H](O)C[C@@H](O)CCP(=O)(O)O
InChIInChI=1S/C7H16NO7P/c9-5-8(12)4-7(11)3-6(10)1-2-16(13,14)15/h5-7,10-12H,1-4H2,(H2,13,14,15)/t6-,7+/m0/s1
InChIKeyGOVMEJHTXIFUEW-NKWVEPMBSA-N
XLogP-1.49
TPSA138.53 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.18
LogP ≤ 5-1.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-6-[formyl(hydroxy)amino]-3,5-dihydroxyhexyl]phosphonic acid?
The IUPAC name of [(3R,5R)-6-[formyl(hydroxy)amino]-3,5-dihydroxyhexyl]phosphonic acid (CID 118433475) is [(3R,5R)-6-[formyl(hydroxy)amino]-3,5-dihydroxyhexyl]phosphonic acid.
What is the SMILES notation for [(3R,5R)-6-[formyl(hydroxy)amino]-3,5-dihydroxyhexyl]phosphonic acid?
The canonical SMILES for [(3R,5R)-6-[formyl(hydroxy)amino]-3,5-dihydroxyhexyl]phosphonic acid is O=CN(O)C[C@H](O)C[C@@H](O)CCP(=O)(O)O.
What is the InChIKey of [(3R,5R)-6-[formyl(hydroxy)amino]-3,5-dihydroxyhexyl]phosphonic acid?
The InChIKey is GOVMEJHTXIFUEW-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H16NO7P/c9-5-8(12)4-7(11)3-6(10)1-2-16(13,14)15/h5-7,10-12H,1-4H2,(H2,13,14,15)/t6-,7+/m0/s1.
What are the key properties of [(3R,5R)-6-[formyl(hydroxy)amino]-3,5-dihydroxyhexyl]phosphonic acid?
[(3R,5R)-6-[formyl(hydroxy)amino]-3,5-dihydroxyhexyl]phosphonic acid has a molecular weight of 257.18 g/mol, XLogP of -1.49, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-6-[formyl(hydroxy)amino]-3,5-dihydroxyhexyl]phosphonic acid is sourced from PubChem (CID 118433475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).