(8R)-8-amino-7-oxo-8-phosphonononanoic acid

C9H18NO6P — CID 100986960

IUPAC(8R)-8-amino-7-oxo-8-phosphonononanoic acid
SMILESC[C@](N)(C(=O)CCCCCC(=O)O)P(=O)(O)O
InChIInChI=1S/C9H18NO6P/c1-9(10,17(14,15)16)7(11)5-3-2-4-6-8(12)13/h2-6,10H2,1H3,(H,12,13)(H2,14,15,16)/t9-/m1/s1
InChIKeyXWHJLGJIQVUOMX-SECBINFHSA-N
MW267.22 g/mol
LogP0.44
Rot. Bonds8

About (8R)-8-amino-7-oxo-8-phosphonononanoic acid

(8R)-8-amino-7-oxo-8-phosphonononanoic acid (PubChem CID 100986960) has the molecular formula C9H18NO6P and a molecular weight of 267.22 g/mol. Its IUPAC name is (8R)-8-amino-7-oxo-8-phosphonononanoic acid.

Molecular Properties

Compound Name(8R)-8-amino-7-oxo-8-phosphonononanoic acid
PubChem CID100986960
Molecular FormulaC9H18NO6P
Molecular Weight267.22 g/mol
Exact Mass267.09
IUPAC Name(8R)-8-amino-7-oxo-8-phosphonononanoic acid
SMILESC[C@](N)(C(=O)CCCCCC(=O)O)P(=O)(O)O
InChIInChI=1S/C9H18NO6P/c1-9(10,17(14,15)16)7(11)5-3-2-4-6-8(12)13/h2-6,10H2,1H3,(H,12,13)(H2,14,15,16)/t9-/m1/s1
InChIKeyXWHJLGJIQVUOMX-SECBINFHSA-N
XLogP0.44
TPSA137.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.22
LogP ≤ 50.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

17,17-dimethyl-16-oxooctadecanoic acid
CID 139546409
17,17-dimethyl-16-oxononadecanoic acid
CID 139454091
2,3-dimethylbutan-2-amine;octanoic acid
CID 173175161
24-amino-24-oxotetracosanoic acid
CID 139682769
34-amino-34-oxotetratriacontanoic acid
CID 139682719
ethanamine;hexanedioic acid
CID 173189130
octadecanoic acid;phosphoric acid
CID 160712069
methanol;tridecanedioic acid
CID 175511493
2,2-dimethyloctadecan-3-one;hexadecanoic acid
CID 159228095
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
tridecanedioic acid;undecanedioic acid
CID 158333715

Frequently Asked Questions

What is the IUPAC name of (8R)-8-amino-7-oxo-8-phosphonononanoic acid?
The IUPAC name of (8R)-8-amino-7-oxo-8-phosphonononanoic acid (CID 100986960) is (8R)-8-amino-7-oxo-8-phosphonononanoic acid.
What is the SMILES notation for (8R)-8-amino-7-oxo-8-phosphonononanoic acid?
The canonical SMILES for (8R)-8-amino-7-oxo-8-phosphonononanoic acid is C[C@](N)(C(=O)CCCCCC(=O)O)P(=O)(O)O.
What is the InChIKey of (8R)-8-amino-7-oxo-8-phosphonononanoic acid?
The InChIKey is XWHJLGJIQVUOMX-SECBINFHSA-N. The full InChI is InChI=1S/C9H18NO6P/c1-9(10,17(14,15)16)7(11)5-3-2-4-6-8(12)13/h2-6,10H2,1H3,(H,12,13)(H2,14,15,16)/t9-/m1/s1.
What are the key properties of (8R)-8-amino-7-oxo-8-phosphonononanoic acid?
(8R)-8-amino-7-oxo-8-phosphonononanoic acid has a molecular weight of 267.22 g/mol, XLogP of 0.44, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-amino-7-oxo-8-phosphonononanoic acid is sourced from PubChem (CID 100986960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).