17-phosphonoheptadecanoic acid

C17H35O5P — CID 87457522

IUPAC17-phosphonoheptadecanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCCP(=O)(O)O
InChIInChI=1S/C17H35O5P/c18-17(19)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-23(20,21)22/h1-16H2,(H,18,19)(H2,20,21,22)
InChIKeyLQVKFUAVJQKYQB-UHFFFAOYSA-N
MW350.44 g/mol
LogP5.10
Rot. Bonds17

About 17-phosphonoheptadecanoic acid

17-phosphonoheptadecanoic acid (PubChem CID 87457522) has the molecular formula C17H35O5P and a molecular weight of 350.44 g/mol. Its IUPAC name is 17-phosphonoheptadecanoic acid.

Molecular Properties

Compound Name17-phosphonoheptadecanoic acid
PubChem CID87457522
Molecular FormulaC17H35O5P
Molecular Weight350.44 g/mol
Exact Mass350.22
IUPAC Name17-phosphonoheptadecanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCCP(=O)(O)O
InChIInChI=1S/C17H35O5P/c18-17(19)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-23(20,21)22/h1-16H2,(H,18,19)(H2,20,21,22)
InChIKeyLQVKFUAVJQKYQB-UHFFFAOYSA-N
XLogP5.10
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.44
LogP ≤ 55.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

33-phosphonotritriacontanoic acid
CID 87686825
10-phosphonodecanoic acid
CID 87400342
5-phosphonopentylphosphonic acid
CID 2773804
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
heptadecanedioic acid
CID 3083765
tridecanedioic acid;undecanedioic acid
CID 158333715
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
triacontanedioic acid
CID 5322010
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033

Frequently Asked Questions

What is the IUPAC name of 17-phosphonoheptadecanoic acid?
The IUPAC name of 17-phosphonoheptadecanoic acid (CID 87457522) is 17-phosphonoheptadecanoic acid.
What is the SMILES notation for 17-phosphonoheptadecanoic acid?
The canonical SMILES for 17-phosphonoheptadecanoic acid is O=C(O)CCCCCCCCCCCCCCCCP(=O)(O)O.
What is the InChIKey of 17-phosphonoheptadecanoic acid?
The InChIKey is LQVKFUAVJQKYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35O5P/c18-17(19)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-23(20,21)22/h1-16H2,(H,18,19)(H2,20,21,22).
What are the key properties of 17-phosphonoheptadecanoic acid?
17-phosphonoheptadecanoic acid has a molecular weight of 350.44 g/mol, XLogP of 5.10, 17 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17-phosphonoheptadecanoic acid is sourced from PubChem (CID 87457522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).