pentanoyl phosphate

C5H9O5P-2 — CID 149253052

IUPACpentanoyl phosphate
SMILESCCCCC(=O)OP(=O)([O-])[O-]
InChIInChI=1S/C5H11O5P/c1-2-3-4-5(6)10-11(7,8)9/h2-4H2,1H3,(H2,7,8,9)/p-2
InChIKeyBYQBDPSWAPQLPI-UHFFFAOYSA-L
MW180.10 g/mol
LogP-0.45
Rot. Bonds4

About pentanoyl phosphate

pentanoyl phosphate (PubChem CID 149253052) has the molecular formula C5H9O5P-2 and a molecular weight of 180.10 g/mol. Its IUPAC name is pentanoyl phosphate.

Molecular Properties

Compound Namepentanoyl phosphate
PubChem CID149253052
Molecular FormulaC5H9O5P-2
Molecular Weight180.10 g/mol
Exact Mass180.02
IUPAC Namepentanoyl phosphate
SMILESCCCCC(=O)OP(=O)([O-])[O-]
InChIInChI=1S/C5H11O5P/c1-2-3-4-5(6)10-11(7,8)9/h2-4H2,1H3,(H2,7,8,9)/p-2
InChIKeyBYQBDPSWAPQLPI-UHFFFAOYSA-L
XLogP-0.45
TPSA89.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.10
LogP ≤ 5-0.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

sodium methyl octadecanoyl phosphate
CID 172713208
[methoxy(methyl)phosphoryl] pentanoate
CID 174704014
calcium propanoyl phosphate
CID 141372314
di(octanoyloxy)phosphoryl octanoate
CID 57032543
trisodium;hydride;phosphono octadecanoate
CID 175375815
[hydroxy(octadecanoyloxy)phosphoryl] octadecanoate
CID 50913067
sodium [methoxy(oxido)phosphinothioyl] dodecanoate
CID 175136514
fluoro(icosanoyloxy)phosphinic acid
CID 175870939
potassium;hydride;phosphono decanoate
CID 173362975
disodium;butanoyloxy-[[butanoyloxy(oxido)phosphoryl]-dichloromethyl]phosphinate
CID 10252021
dipentanoyl hexanedioate
CID 174373362
[hydroxy(methoxy)phosphoryl] octadecanoate
CID 172713209

Frequently Asked Questions

What is the IUPAC name of pentanoyl phosphate?
The IUPAC name of pentanoyl phosphate (CID 149253052) is pentanoyl phosphate.
What is the SMILES notation for pentanoyl phosphate?
The canonical SMILES for pentanoyl phosphate is CCCCC(=O)OP(=O)([O-])[O-].
What is the InChIKey of pentanoyl phosphate?
The InChIKey is BYQBDPSWAPQLPI-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H11O5P/c1-2-3-4-5(6)10-11(7,8)9/h2-4H2,1H3,(H2,7,8,9)/p-2.
What are the key properties of pentanoyl phosphate?
pentanoyl phosphate has a molecular weight of 180.10 g/mol, XLogP of -0.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pentanoyl phosphate is sourced from PubChem (CID 149253052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).