(5R,8R,10R)-10-(3-hydroxypropyl)-8-[(2S)-2-methyl-5-oxooxolan-2-yl]-1,3,9-trioxaspiro[4.5]decan-2-one

C15H22O7 — CID 53360795

IUPAC(5R,8R,10R)-10-(3-hydroxypropyl)-8-[(2S)-2-methyl-5-oxooxolan-2-yl]-1,3,9-trioxaspiro[4.5]decan-2-one
SMILESC[C@@]1([C@H]2CC[C@@]3(COC(=O)O3)[C@@H](CCCO)O2)CCC(=O)O1
InChIInChI=1S/C15H22O7/c1-14(6-5-12(17)21-14)10-4-7-15(9-19-13(18)22-15)11(20-10)3-2-8-16/h10-11,16H,2-9H2,1H3/t10-,11-,14+,15-/m1/s1
InChIKeyWXFKBFBBHLKLMU-HKCMKHECSA-N
MW314.33 g/mol
LogP1.31
Rot. Bonds4

About (5R,8R,10R)-10-(3-hydroxypropyl)-8-[(2S)-2-methyl-5-oxooxolan-2-yl]-1,3,9-trioxaspiro[4.5]decan-2-one

(5R,8R,10R)-10-(3-hydroxypropyl)-8-[(2S)-2-methyl-5-oxooxolan-2-yl]-1,3,9-trioxaspiro[4.5]decan-2-one (PubChem CID 53360795) has the molecular formula C15H22O7 and a molecular weight of 314.33 g/mol. Its IUPAC name is (5R,8R,10R)-10-(3-hydroxypropyl)-8-[(2S)-2-methyl-5-oxooxolan-2-yl]-1,3,9-trioxaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5R,8R,10R)-10-(3-hydroxypropyl)-8-[(2S)-2-methyl-5-oxooxolan-2-yl]-1,3,9-trioxaspiro[4.5]decan-2-one
PubChem CID53360795
Molecular FormulaC15H22O7
Molecular Weight314.33 g/mol
Exact Mass314.14
IUPAC Name(5R,8R,10R)-10-(3-hydroxypropyl)-8-[(2S)-2-methyl-5-oxooxolan-2-yl]-1,3,9-trioxaspiro[4.5]decan-2-one
SMILESC[C@@]1([C@H]2CC[C@@]3(COC(=O)O3)[C@@H](CCCO)O2)CCC(=O)O1
InChIInChI=1S/C15H22O7/c1-14(6-5-12(17)21-14)10-4-7-15(9-19-13(18)22-15)11(20-10)3-2-8-16/h10-11,16H,2-9H2,1H3/t10-,11-,14+,15-/m1/s1
InChIKeyWXFKBFBBHLKLMU-HKCMKHECSA-N
XLogP1.31
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5R,8R,10R)-10-(3-hydroxypropyl)-8-[(2S)-2-methyl-5-oxooxolan-2-yl]-1,3,9-trioxaspiro[4.5]decan-2-one?
The IUPAC name of (5R,8R,10R)-10-(3-hydroxypropyl)-8-[(2S)-2-methyl-5-oxooxolan-2-yl]-1,3,9-trioxaspiro[4.5]decan-2-one (CID 53360795) is (5R,8R,10R)-10-(3-hydroxypropyl)-8-[(2S)-2-methyl-5-oxooxolan-2-yl]-1,3,9-trioxaspiro[4.5]decan-2-one.
What is the SMILES notation for (5R,8R,10R)-10-(3-hydroxypropyl)-8-[(2S)-2-methyl-5-oxooxolan-2-yl]-1,3,9-trioxaspiro[4.5]decan-2-one?
The canonical SMILES for (5R,8R,10R)-10-(3-hydroxypropyl)-8-[(2S)-2-methyl-5-oxooxolan-2-yl]-1,3,9-trioxaspiro[4.5]decan-2-one is C[C@@]1([C@H]2CC[C@@]3(COC(=O)O3)[C@@H](CCCO)O2)CCC(=O)O1.
What is the InChIKey of (5R,8R,10R)-10-(3-hydroxypropyl)-8-[(2S)-2-methyl-5-oxooxolan-2-yl]-1,3,9-trioxaspiro[4.5]decan-2-one?
The InChIKey is WXFKBFBBHLKLMU-HKCMKHECSA-N. The full InChI is InChI=1S/C15H22O7/c1-14(6-5-12(17)21-14)10-4-7-15(9-19-13(18)22-15)11(20-10)3-2-8-16/h10-11,16H,2-9H2,1H3/t10-,11-,14+,15-/m1/s1.
What are the key properties of (5R,8R,10R)-10-(3-hydroxypropyl)-8-[(2S)-2-methyl-5-oxooxolan-2-yl]-1,3,9-trioxaspiro[4.5]decan-2-one?
(5R,8R,10R)-10-(3-hydroxypropyl)-8-[(2S)-2-methyl-5-oxooxolan-2-yl]-1,3,9-trioxaspiro[4.5]decan-2-one has a molecular weight of 314.33 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,8R,10R)-10-(3-hydroxypropyl)-8-[(2S)-2-methyl-5-oxooxolan-2-yl]-1,3,9-trioxaspiro[4.5]decan-2-one is sourced from PubChem (CID 53360795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).