2-[2-(2-hydroxyethoxy)ethoxy]ethyl [(2R,3S,4S,5S)-4-hydroxy-5-methyl-2-(2-methylpropyl)oxolan-3-yl] phosphate

C15H30O9P- — CID 59148897

IUPAC2-[2-(2-hydroxyethoxy)ethoxy]ethyl [(2R,3S,4S,5S)-4-hydroxy-5-methyl-2-(2-methylpropyl)oxolan-3-yl] phosphate
SMILESCC(C)C[C@H]1O[C@@H](C)[C@H](O)[C@@H]1OP(=O)([O-])OCCOCCOCCO
InChIInChI=1S/C15H31O9P/c1-11(2)10-13-15(14(17)12(3)23-13)24-25(18,19)22-9-8-21-7-6-20-5-4-16/h11-17H,4-10H2,1-3H3,(H,18,19)/p-1/t12-,13+,14-,15+/m0/s1
InChIKeyWYXBCJSJBUJYMI-LJISPDSOSA-M
MW385.37 g/mol
LogP0.08
Rot. Bonds13

About 2-[2-(2-hydroxyethoxy)ethoxy]ethyl [(2R,3S,4S,5S)-4-hydroxy-5-methyl-2-(2-methylpropyl)oxolan-3-yl] phosphate

2-[2-(2-hydroxyethoxy)ethoxy]ethyl [(2R,3S,4S,5S)-4-hydroxy-5-methyl-2-(2-methylpropyl)oxolan-3-yl] phosphate (PubChem CID 59148897) has the molecular formula C15H30O9P- and a molecular weight of 385.37 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethoxy]ethyl [(2R,3S,4S,5S)-4-hydroxy-5-methyl-2-(2-methylpropyl)oxolan-3-yl] phosphate.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethoxy]ethyl [(2R,3S,4S,5S)-4-hydroxy-5-methyl-2-(2-methylpropyl)oxolan-3-yl] phosphate
PubChem CID59148897
Molecular FormulaC15H30O9P-
Molecular Weight385.37 g/mol
Exact Mass385.16
IUPAC Name2-[2-(2-hydroxyethoxy)ethoxy]ethyl [(2R,3S,4S,5S)-4-hydroxy-5-methyl-2-(2-methylpropyl)oxolan-3-yl] phosphate
SMILESCC(C)C[C@H]1O[C@@H](C)[C@H](O)[C@@H]1OP(=O)([O-])OCCOCCOCCO
InChIInChI=1S/C15H31O9P/c1-11(2)10-13-15(14(17)12(3)23-13)24-25(18,19)22-9-8-21-7-6-20-5-4-16/h11-17H,4-10H2,1-3H3,(H,18,19)/p-1/t12-,13+,14-,15+/m0/s1
InChIKeyWYXBCJSJBUJYMI-LJISPDSOSA-M
XLogP0.08
TPSA126.74 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-[2-(2-hydroxyethoxy)ethoxy]ethyl [(2R,3S,4S,5S)-4-hydroxy-5-methyl-2-(2-methylpropyl)oxolan-3-yl] phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-hydroxycyclohexyl) [(2R,3S,4S,5S)-4-hydroxy-5-methyl-2-(2-methylpropyl)oxolan-3-yl] phosphate
CID 59148899
[(2R,3S,4S,5S)-4-hydroxy-5-methyl-2-(2-methylpropyl)oxolan-3-yl] 3-hydroxypropyl hydrogen phosphate
CID 59148902
(3S,4S,6R)-2-methyl-6-(2-methylpropyl)oxane-3,4,5-triol
CID 118580383
[(2R,3R,5S)-3-[[(2R,3R,5S)-3-hydroxy-4,5-dimethyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-4,5-dimethyloxolan-2-yl]methyl [(2R,3R,5S)-2-(hydroxymethyl)-4,5-dimethyloxolan-3-yl] phosphate
CID 59154052
[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] 3,7-dimethyloct-6-enyl phosphate
CID 102193562
[4-hydroxy-2-(hydroxymethyl)-5-methyloxolan-3-yl] (2,3,4-trihydroxy-5-methoxypentyl) hydrogen phosphate
CID 20654327
[(6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z,46Z,50Z,54E,58E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63-hexadecamethyltetrahexaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62-pentadecaenyl] [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] phosphate
CID 146037030
[(2R,3R,5S)-4-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate
CID 59991690
[(2R,5S)-4-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate
CID 59905543
disodium;[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl] phosphate
CID 67062860
disodium;[(2R,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl] phosphate
CID 140523799
[(2R,3S,4S,5S)-4-hydroxy-3-methoxy-5-methyloxolan-2-yl]methoxy-methylphosphinic acid
CID 158256198

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl [(2R,3S,4S,5S)-4-hydroxy-5-methyl-2-(2-methylpropyl)oxolan-3-yl] phosphate?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl [(2R,3S,4S,5S)-4-hydroxy-5-methyl-2-(2-methylpropyl)oxolan-3-yl] phosphate (CID 59148897) is 2-[2-(2-hydroxyethoxy)ethoxy]ethyl [(2R,3S,4S,5S)-4-hydroxy-5-methyl-2-(2-methylpropyl)oxolan-3-yl] phosphate.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl [(2R,3S,4S,5S)-4-hydroxy-5-methyl-2-(2-methylpropyl)oxolan-3-yl] phosphate?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl [(2R,3S,4S,5S)-4-hydroxy-5-methyl-2-(2-methylpropyl)oxolan-3-yl] phosphate is CC(C)C[C@H]1O[C@@H](C)[C@H](O)[C@@H]1OP(=O)([O-])OCCOCCOCCO.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl [(2R,3S,4S,5S)-4-hydroxy-5-methyl-2-(2-methylpropyl)oxolan-3-yl] phosphate?
The InChIKey is WYXBCJSJBUJYMI-LJISPDSOSA-M. The full InChI is InChI=1S/C15H31O9P/c1-11(2)10-13-15(14(17)12(3)23-13)24-25(18,19)22-9-8-21-7-6-20-5-4-16/h11-17H,4-10H2,1-3H3,(H,18,19)/p-1/t12-,13+,14-,15+/m0/s1.
What are the key properties of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl [(2R,3S,4S,5S)-4-hydroxy-5-methyl-2-(2-methylpropyl)oxolan-3-yl] phosphate?
2-[2-(2-hydroxyethoxy)ethoxy]ethyl [(2R,3S,4S,5S)-4-hydroxy-5-methyl-2-(2-methylpropyl)oxolan-3-yl] phosphate has a molecular weight of 385.37 g/mol, XLogP of 0.08, 13 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl [(2R,3S,4S,5S)-4-hydroxy-5-methyl-2-(2-methylpropyl)oxolan-3-yl] phosphate is sourced from PubChem (CID 59148897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).