2-[ethoxy-[2-[ethoxy-[2-(2-hydroxypropanoyloxy)ethoxy]phosphoryl]oxyethoxy]phosphoryl]oxyethyl 2-hydroxypropanoate

C16H32O14P2 — CID 118098442

IUPAC2-[ethoxy-[2-[ethoxy-[2-(2-hydroxypropanoyloxy)ethoxy]phosphoryl]oxyethoxy]phosphoryl]oxyethyl 2-hydroxypropanoate
SMILESCCOP(=O)(OCCOC(=O)C(C)O)OCCOP(=O)(OCC)OCCOC(=O)C(C)O
InChIInChI=1S/C16H32O14P2/c1-5-25-31(21,27-9-7-23-15(19)13(3)17)29-11-12-30-32(22,26-6-2)28-10-8-24-16(20)14(4)18/h13-14,17-18H,5-12H2,1-4H3
InChIKeyRXJRCMNILMKMLA-UHFFFAOYSA-N
MW510.37 g/mol
LogP1.19
Rot. Bonds19

About 2-[ethoxy-[2-[ethoxy-[2-(2-hydroxypropanoyloxy)ethoxy]phosphoryl]oxyethoxy]phosphoryl]oxyethyl 2-hydroxypropanoate

2-[ethoxy-[2-[ethoxy-[2-(2-hydroxypropanoyloxy)ethoxy]phosphoryl]oxyethoxy]phosphoryl]oxyethyl 2-hydroxypropanoate (PubChem CID 118098442) has the molecular formula C16H32O14P2 and a molecular weight of 510.37 g/mol. Its IUPAC name is 2-[ethoxy-[2-[ethoxy-[2-(2-hydroxypropanoyloxy)ethoxy]phosphoryl]oxyethoxy]phosphoryl]oxyethyl 2-hydroxypropanoate.

Molecular Properties

Compound Name2-[ethoxy-[2-[ethoxy-[2-(2-hydroxypropanoyloxy)ethoxy]phosphoryl]oxyethoxy]phosphoryl]oxyethyl 2-hydroxypropanoate
PubChem CID118098442
Molecular FormulaC16H32O14P2
Molecular Weight510.37 g/mol
Exact Mass510.13
IUPAC Name2-[ethoxy-[2-[ethoxy-[2-(2-hydroxypropanoyloxy)ethoxy]phosphoryl]oxyethoxy]phosphoryl]oxyethyl 2-hydroxypropanoate
SMILESCCOP(=O)(OCCOC(=O)C(C)O)OCCOP(=O)(OCC)OCCOC(=O)C(C)O
InChIInChI=1S/C16H32O14P2/c1-5-25-31(21,27-9-7-23-15(19)13(3)17)29-11-12-30-32(22,26-6-2)28-10-8-24-16(20)14(4)18/h13-14,17-18H,5-12H2,1-4H3
InChIKeyRXJRCMNILMKMLA-UHFFFAOYSA-N
XLogP1.19
TPSA182.58 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.37
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

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

diethyl 2-methoxyethyl phosphate
CID 547489
2-methylpropanamide;triethyl phosphate
CID 155316510
4-diethoxyphosphoryloxybutyl 2-propylpentanoate
CID 71728027
2-ethoxyethyl diethyl phosphate
CID 3052884
ethyl 2-hydroxypropanoate;sulfane
CID 162209332
acetic acid;triethyl phosphate
CID 161446956
4-ethoxybutyl 2-hydroxypropanoate
CID 151280591
2-[ethoxy(methoxy)phosphoryl]oxyethyl prop-2-enoate
CID 175376147
2-hydroxyethyl (2R)-2-hydroxypropanoate
CID 14273570
5-diethoxyphosphoryloxypentyl diethyl phosphate
CID 23412798
bis(2-methoxyethyl) 2-diethoxyphosphoryloxybutanedioate
CID 88550141
4-O-[2-[2-(4-acetylbenzoyl)oxyethoxy-ethoxyphosphoryl]oxyethyl] 1-O-(2-methoxyethyl) benzene-1,4-dicarboxylate
CID 22948301

Frequently Asked Questions

What is the IUPAC name of 2-[ethoxy-[2-[ethoxy-[2-(2-hydroxypropanoyloxy)ethoxy]phosphoryl]oxyethoxy]phosphoryl]oxyethyl 2-hydroxypropanoate?
The IUPAC name of 2-[ethoxy-[2-[ethoxy-[2-(2-hydroxypropanoyloxy)ethoxy]phosphoryl]oxyethoxy]phosphoryl]oxyethyl 2-hydroxypropanoate (CID 118098442) is 2-[ethoxy-[2-[ethoxy-[2-(2-hydroxypropanoyloxy)ethoxy]phosphoryl]oxyethoxy]phosphoryl]oxyethyl 2-hydroxypropanoate.
What is the SMILES notation for 2-[ethoxy-[2-[ethoxy-[2-(2-hydroxypropanoyloxy)ethoxy]phosphoryl]oxyethoxy]phosphoryl]oxyethyl 2-hydroxypropanoate?
The canonical SMILES for 2-[ethoxy-[2-[ethoxy-[2-(2-hydroxypropanoyloxy)ethoxy]phosphoryl]oxyethoxy]phosphoryl]oxyethyl 2-hydroxypropanoate is CCOP(=O)(OCCOC(=O)C(C)O)OCCOP(=O)(OCC)OCCOC(=O)C(C)O.
What is the InChIKey of 2-[ethoxy-[2-[ethoxy-[2-(2-hydroxypropanoyloxy)ethoxy]phosphoryl]oxyethoxy]phosphoryl]oxyethyl 2-hydroxypropanoate?
The InChIKey is RXJRCMNILMKMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O14P2/c1-5-25-31(21,27-9-7-23-15(19)13(3)17)29-11-12-30-32(22,26-6-2)28-10-8-24-16(20)14(4)18/h13-14,17-18H,5-12H2,1-4H3.
What are the key properties of 2-[ethoxy-[2-[ethoxy-[2-(2-hydroxypropanoyloxy)ethoxy]phosphoryl]oxyethoxy]phosphoryl]oxyethyl 2-hydroxypropanoate?
2-[ethoxy-[2-[ethoxy-[2-(2-hydroxypropanoyloxy)ethoxy]phosphoryl]oxyethoxy]phosphoryl]oxyethyl 2-hydroxypropanoate has a molecular weight of 510.37 g/mol, XLogP of 1.19, 19 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethoxy-[2-[ethoxy-[2-(2-hydroxypropanoyloxy)ethoxy]phosphoryl]oxyethoxy]phosphoryl]oxyethyl 2-hydroxypropanoate is sourced from PubChem (CID 118098442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).