2-[2-[2-[2-(2-ethyl-2,3,4,5,6-pentahydroxyhexanoyl)oxyethoxy]ethoxy]ethoxy]ethyl 2-ethyl-2,3,4,5,6-pentahydroxyhexanoate

C24H46O17 — CID 87252601

IUPAC2-[2-[2-[2-(2-ethyl-2,3,4,5,6-pentahydroxyhexanoyl)oxyethoxy]ethoxy]ethoxy]ethyl 2-ethyl-2,3,4,5,6-pentahydroxyhexanoate
SMILESCCC(O)(C(=O)OCCOCCOCCOCCOC(=O)C(O)(CC)C(O)C(O)C(O)CO)C(O)C(O)C(O)CO
InChIInChI=1S/C24H46O17/c1-3-23(35,19(31)17(29)15(27)13-25)21(33)40-11-9-38-7-5-37-6-8-39-10-12-41-22(34)24(36,4-2)20(32)18(30)16(28)14-26/h15-20,25-32,35-36H,3-14H2,1-2H3
InChIKeyFLSSOYNJLHGULF-UHFFFAOYSA-N
MW606.61 g/mol
LogP-5.45
Rot. Bonds24

About 2-[2-[2-[2-(2-ethyl-2,3,4,5,6-pentahydroxyhexanoyl)oxyethoxy]ethoxy]ethoxy]ethyl 2-ethyl-2,3,4,5,6-pentahydroxyhexanoate

2-[2-[2-[2-(2-ethyl-2,3,4,5,6-pentahydroxyhexanoyl)oxyethoxy]ethoxy]ethoxy]ethyl 2-ethyl-2,3,4,5,6-pentahydroxyhexanoate (PubChem CID 87252601) has the molecular formula C24H46O17 and a molecular weight of 606.61 g/mol. Its IUPAC name is 2-[2-[2-[2-(2-ethyl-2,3,4,5,6-pentahydroxyhexanoyl)oxyethoxy]ethoxy]ethoxy]ethyl 2-ethyl-2,3,4,5,6-pentahydroxyhexanoate.

Molecular Properties

Compound Name2-[2-[2-[2-(2-ethyl-2,3,4,5,6-pentahydroxyhexanoyl)oxyethoxy]ethoxy]ethoxy]ethyl 2-ethyl-2,3,4,5,6-pentahydroxyhexanoate
PubChem CID87252601
Molecular FormulaC24H46O17
Molecular Weight606.61 g/mol
Exact Mass606.27
IUPAC Name2-[2-[2-[2-(2-ethyl-2,3,4,5,6-pentahydroxyhexanoyl)oxyethoxy]ethoxy]ethoxy]ethyl 2-ethyl-2,3,4,5,6-pentahydroxyhexanoate
SMILESCCC(O)(C(=O)OCCOCCOCCOCCOC(=O)C(O)(CC)C(O)C(O)C(O)CO)C(O)C(O)C(O)CO
InChIInChI=1S/C24H46O17/c1-3-23(35,19(31)17(29)15(27)13-25)21(33)40-11-9-38-7-5-37-6-8-39-10-12-41-22(34)24(36,4-2)20(32)18(30)16(28)14-26/h15-20,25-32,35-36H,3-14H2,1-2H3
InChIKeyFLSSOYNJLHGULF-UHFFFAOYSA-N
XLogP-5.45
TPSA282.59 Ų
H-Bond Donors10
H-Bond Acceptors17
Rotatable Bonds24
Heavy Atoms41
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500606.61
LogP ≤ 5-5.45
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2-ethyl-2,3,4,5,6-pentahydroxyhexanoyl)oxyethoxy]ethoxy]ethoxy]ethyl 2-ethyl-2,3,4,5,6-pentahydroxyhexanoate?
The IUPAC name of 2-[2-[2-[2-(2-ethyl-2,3,4,5,6-pentahydroxyhexanoyl)oxyethoxy]ethoxy]ethoxy]ethyl 2-ethyl-2,3,4,5,6-pentahydroxyhexanoate (CID 87252601) is 2-[2-[2-[2-(2-ethyl-2,3,4,5,6-pentahydroxyhexanoyl)oxyethoxy]ethoxy]ethoxy]ethyl 2-ethyl-2,3,4,5,6-pentahydroxyhexanoate.
What is the SMILES notation for 2-[2-[2-[2-(2-ethyl-2,3,4,5,6-pentahydroxyhexanoyl)oxyethoxy]ethoxy]ethoxy]ethyl 2-ethyl-2,3,4,5,6-pentahydroxyhexanoate?
The canonical SMILES for 2-[2-[2-[2-(2-ethyl-2,3,4,5,6-pentahydroxyhexanoyl)oxyethoxy]ethoxy]ethoxy]ethyl 2-ethyl-2,3,4,5,6-pentahydroxyhexanoate is CCC(O)(C(=O)OCCOCCOCCOCCOC(=O)C(O)(CC)C(O)C(O)C(O)CO)C(O)C(O)C(O)CO.
What is the InChIKey of 2-[2-[2-[2-(2-ethyl-2,3,4,5,6-pentahydroxyhexanoyl)oxyethoxy]ethoxy]ethoxy]ethyl 2-ethyl-2,3,4,5,6-pentahydroxyhexanoate?
The InChIKey is FLSSOYNJLHGULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O17/c1-3-23(35,19(31)17(29)15(27)13-25)21(33)40-11-9-38-7-5-37-6-8-39-10-12-41-22(34)24(36,4-2)20(32)18(30)16(28)14-26/h15-20,25-32,35-36H,3-14H2,1-2H3.
What are the key properties of 2-[2-[2-[2-(2-ethyl-2,3,4,5,6-pentahydroxyhexanoyl)oxyethoxy]ethoxy]ethoxy]ethyl 2-ethyl-2,3,4,5,6-pentahydroxyhexanoate?
2-[2-[2-[2-(2-ethyl-2,3,4,5,6-pentahydroxyhexanoyl)oxyethoxy]ethoxy]ethoxy]ethyl 2-ethyl-2,3,4,5,6-pentahydroxyhexanoate has a molecular weight of 606.61 g/mol, XLogP of -5.45, 24 rotatable bonds, 10 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(2-ethyl-2,3,4,5,6-pentahydroxyhexanoyl)oxyethoxy]ethoxy]ethoxy]ethyl 2-ethyl-2,3,4,5,6-pentahydroxyhexanoate is sourced from PubChem (CID 87252601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).