[(2R)-2,3-dioctoxypropoxy]-hydroxy-oxophosphanium

C19H40O5P+ — CID 101003842

IUPAC[(2R)-2,3-dioctoxypropoxy]-hydroxy-oxophosphanium
SMILESCCCCCCCCOC[C@H](CO[P+](=O)O)OCCCCCCCC
InChIInChI=1S/C19H39O5P/c1-3-5-7-9-11-13-15-22-17-19(18-24-25(20)21)23-16-14-12-10-8-6-4-2/h19H,3-18H2,1-2H3/p+1/t19-/m1/s1
InChIKeyOKOQLWMMWUUMNO-LJQANCHMSA-O
MW379.50 g/mol
LogP5.78
Rot. Bonds20

About [(2R)-2,3-dioctoxypropoxy]-hydroxy-oxophosphanium

[(2R)-2,3-dioctoxypropoxy]-hydroxy-oxophosphanium (PubChem CID 101003842) has the molecular formula C19H40O5P+ and a molecular weight of 379.50 g/mol. Its IUPAC name is [(2R)-2,3-dioctoxypropoxy]-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[(2R)-2,3-dioctoxypropoxy]-hydroxy-oxophosphanium
PubChem CID101003842
Molecular FormulaC19H40O5P+
Molecular Weight379.50 g/mol
Exact Mass379.26
IUPAC Name[(2R)-2,3-dioctoxypropoxy]-hydroxy-oxophosphanium
SMILESCCCCCCCCOC[C@H](CO[P+](=O)O)OCCCCCCCC
InChIInChI=1S/C19H39O5P/c1-3-5-7-9-11-13-15-22-17-19(18-24-25(20)21)23-16-14-12-10-8-6-4-2/h19H,3-18H2,1-2H3/p+1/t19-/m1/s1
InChIKeyOKOQLWMMWUUMNO-LJQANCHMSA-O
XLogP5.78
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.50
LogP ≤ 55.78
H-Bond Donors ≤ 51
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

(3-acetyloxy-2-octadecoxypropoxy)-hydroxy-oxophosphanium
CID 22673456
1-[2,3-di(octacosoxy)propoxy]octacosane
CID 139785017
1-[2,3-di(tridecoxy)propoxy]tridecane
CID 71331054
2-(1,3-dioctoxypropan-2-yloxy)ethanol
CID 132520295
3-hexadecoxy-2-tetradecoxypropan-1-ol
CID 57128111
(2S)-2-decoxy-3-[20-[(2S)-2-decoxy-3-hydroxypropoxy]icosoxy]propan-1-ol
CID 100932836
(2R)-3-hexadecoxy-2-octoxypropan-1-ol
CID 87800892
2,3-didecoxypropyl dihydrogen phosphate
CID 87439612
2,3-dihexadecoxypropan-1-ol;phosphane
CID 174353548
1-[2,3-bis(4-bromobutoxy)propoxy]hexadecane
CID 139648498
3-hexadecoxy-2-octadecoxypropan-1-ol;phosphane
CID 174930808
2-(2,3-dihexadecoxypropoxy)acetaldehyde
CID 88757487

Frequently Asked Questions

What is the IUPAC name of [(2R)-2,3-dioctoxypropoxy]-hydroxy-oxophosphanium?
The IUPAC name of [(2R)-2,3-dioctoxypropoxy]-hydroxy-oxophosphanium (CID 101003842) is [(2R)-2,3-dioctoxypropoxy]-hydroxy-oxophosphanium.
What is the SMILES notation for [(2R)-2,3-dioctoxypropoxy]-hydroxy-oxophosphanium?
The canonical SMILES for [(2R)-2,3-dioctoxypropoxy]-hydroxy-oxophosphanium is CCCCCCCCOC[C@H](CO[P+](=O)O)OCCCCCCCC.
What is the InChIKey of [(2R)-2,3-dioctoxypropoxy]-hydroxy-oxophosphanium?
The InChIKey is OKOQLWMMWUUMNO-LJQANCHMSA-O. The full InChI is InChI=1S/C19H39O5P/c1-3-5-7-9-11-13-15-22-17-19(18-24-25(20)21)23-16-14-12-10-8-6-4-2/h19H,3-18H2,1-2H3/p+1/t19-/m1/s1.
What are the key properties of [(2R)-2,3-dioctoxypropoxy]-hydroxy-oxophosphanium?
[(2R)-2,3-dioctoxypropoxy]-hydroxy-oxophosphanium has a molecular weight of 379.50 g/mol, XLogP of 5.78, 20 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2,3-dioctoxypropoxy]-hydroxy-oxophosphanium is sourced from PubChem (CID 101003842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).