hydroxy-[(1R)-1-hydroxy-1-phosphono-3-piperidin-1-ium-1-ylpropyl]phosphinate

C8H19NO7P2 — CID 139058997

IUPAChydroxy-[(1R)-1-hydroxy-1-phosphono-3-piperidin-1-ium-1-ylpropyl]phosphinate
SMILESO=P([O-])(O)[C@](O)(CC[NH+]1CCCCC1)P(=O)(O)O
InChIInChI=1S/C8H19NO7P2/c10-8(17(11,12)13,18(14,15)16)4-7-9-5-2-1-3-6-9/h10H,1-7H2,(H2,11,12,13)(H2,14,15,16)
InChIKeyMYLIHVDCDNRFNF-UHFFFAOYSA-N
MW303.19 g/mol
LogP-2.19
Rot. Bonds5

About hydroxy-[(1R)-1-hydroxy-1-phosphono-3-piperidin-1-ium-1-ylpropyl]phosphinate

hydroxy-[(1R)-1-hydroxy-1-phosphono-3-piperidin-1-ium-1-ylpropyl]phosphinate (PubChem CID 139058997) has the molecular formula C8H19NO7P2 and a molecular weight of 303.19 g/mol. Its IUPAC name is hydroxy-[(1R)-1-hydroxy-1-phosphono-3-piperidin-1-ium-1-ylpropyl]phosphinate.

Molecular Properties

Compound Namehydroxy-[(1R)-1-hydroxy-1-phosphono-3-piperidin-1-ium-1-ylpropyl]phosphinate
PubChem CID139058997
Molecular FormulaC8H19NO7P2
Molecular Weight303.19 g/mol
Exact Mass303.06
IUPAC Namehydroxy-[(1R)-1-hydroxy-1-phosphono-3-piperidin-1-ium-1-ylpropyl]phosphinate
SMILESO=P([O-])(O)[C@](O)(CC[NH+]1CCCCC1)P(=O)(O)O
InChIInChI=1S/C8H19NO7P2/c10-8(17(11,12)13,18(14,15)16)4-7-9-5-2-1-3-6-9/h10H,1-7H2,(H2,11,12,13)(H2,14,15,16)
InChIKeyMYLIHVDCDNRFNF-UHFFFAOYSA-N
XLogP-2.19
TPSA142.56 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 5-2.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxy-[(1R)-1-hydroxy-1-phosphono-3-piperidin-1-ium-1-ylpropyl]phosphinate?
The IUPAC name of hydroxy-[(1R)-1-hydroxy-1-phosphono-3-piperidin-1-ium-1-ylpropyl]phosphinate (CID 139058997) is hydroxy-[(1R)-1-hydroxy-1-phosphono-3-piperidin-1-ium-1-ylpropyl]phosphinate.
What is the SMILES notation for hydroxy-[(1R)-1-hydroxy-1-phosphono-3-piperidin-1-ium-1-ylpropyl]phosphinate?
The canonical SMILES for hydroxy-[(1R)-1-hydroxy-1-phosphono-3-piperidin-1-ium-1-ylpropyl]phosphinate is O=P([O-])(O)[C@](O)(CC[NH+]1CCCCC1)P(=O)(O)O.
What is the InChIKey of hydroxy-[(1R)-1-hydroxy-1-phosphono-3-piperidin-1-ium-1-ylpropyl]phosphinate?
The InChIKey is MYLIHVDCDNRFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO7P2/c10-8(17(11,12)13,18(14,15)16)4-7-9-5-2-1-3-6-9/h10H,1-7H2,(H2,11,12,13)(H2,14,15,16).
What are the key properties of hydroxy-[(1R)-1-hydroxy-1-phosphono-3-piperidin-1-ium-1-ylpropyl]phosphinate?
hydroxy-[(1R)-1-hydroxy-1-phosphono-3-piperidin-1-ium-1-ylpropyl]phosphinate has a molecular weight of 303.19 g/mol, XLogP of -2.19, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[(1R)-1-hydroxy-1-phosphono-3-piperidin-1-ium-1-ylpropyl]phosphinate is sourced from PubChem (CID 139058997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).