nonan-5-yl octadecyl hydrogen phosphate

C27H57O4P — CID 89345208

IUPACnonan-5-yl octadecyl hydrogen phosphate
SMILESCCCCCCCCCCCCCCCCCCOP(=O)(O)OC(CCCC)CCCC
InChIInChI=1S/C27H57O4P/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-30-32(28,29)31-27(24-8-5-2)25-9-6-3/h27H,4-26H2,1-3H3,(H,28,29)
InChIKeyUWGLBOAVGHFKMI-UHFFFAOYSA-N
MW476.72 g/mol
LogP10.13
Rot. Bonds26

About nonan-5-yl octadecyl hydrogen phosphate

nonan-5-yl octadecyl hydrogen phosphate (PubChem CID 89345208) has the molecular formula C27H57O4P and a molecular weight of 476.72 g/mol. Its IUPAC name is nonan-5-yl octadecyl hydrogen phosphate.

Molecular Properties

Compound Namenonan-5-yl octadecyl hydrogen phosphate
PubChem CID89345208
Molecular FormulaC27H57O4P
Molecular Weight476.72 g/mol
Exact Mass476.40
IUPAC Namenonan-5-yl octadecyl hydrogen phosphate
SMILESCCCCCCCCCCCCCCCCCCOP(=O)(O)OC(CCCC)CCCC
InChIInChI=1S/C27H57O4P/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-30-32(28,29)31-27(24-8-5-2)25-9-6-3/h27H,4-26H2,1-3H3,(H,28,29)
InChIKeyUWGLBOAVGHFKMI-UHFFFAOYSA-N
XLogP10.13
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds26
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.72
LogP ≤ 510.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

icosyl nonadecan-10-yl hydrogen phosphate
CID 54370595
decyl dodecyl hydrogen phosphate
CID 20810618
hexyl nonyl hydrogen phosphate
CID 23169649
hexadecyl hexyl hydrogen phosphate
CID 15132676
6-[hexadecoxy(hydroxy)phosphoryl]oxyhexyl propan-2-yl hydrogen phosphate
CID 153443822
decyl propyl hydrogen phosphate
CID 87587050
didodecyl hydrogen phosphate;nickel
CID 87136164
butyl heptyl hydrogen phosphate
CID 86151412
diundecyl hydrogen phosphate;phosphoric acid
CID 87753312
dioctyl hydrogen phosphate;zinc
CID 20743274
1-[hexadecoxy(hydroxy)phosphoryl]oxybutyl-trimethylazanium
CID 156631411
disodium;didodecyl hydrogen phosphate;hydride
CID 173063019

Frequently Asked Questions

What is the IUPAC name of nonan-5-yl octadecyl hydrogen phosphate?
The IUPAC name of nonan-5-yl octadecyl hydrogen phosphate (CID 89345208) is nonan-5-yl octadecyl hydrogen phosphate.
What is the SMILES notation for nonan-5-yl octadecyl hydrogen phosphate?
The canonical SMILES for nonan-5-yl octadecyl hydrogen phosphate is CCCCCCCCCCCCCCCCCCOP(=O)(O)OC(CCCC)CCCC.
What is the InChIKey of nonan-5-yl octadecyl hydrogen phosphate?
The InChIKey is UWGLBOAVGHFKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H57O4P/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-30-32(28,29)31-27(24-8-5-2)25-9-6-3/h27H,4-26H2,1-3H3,(H,28,29).
What are the key properties of nonan-5-yl octadecyl hydrogen phosphate?
nonan-5-yl octadecyl hydrogen phosphate has a molecular weight of 476.72 g/mol, XLogP of 10.13, 26 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nonan-5-yl octadecyl hydrogen phosphate is sourced from PubChem (CID 89345208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).