(5S)-5-[(2R,5S)-5-[(2R)-5-[(2S)-1,3-dihydroxy-2-methylpropyl]oxolan-2-yl]-5-methyloxolan-2-yl]-5-methyloxolan-2-one

C18H30O6 — CID 135068832

IUPAC(5S)-5-[(2R,5S)-5-[(2R)-5-[(2S)-1,3-dihydroxy-2-methylpropyl]oxolan-2-yl]-5-methyloxolan-2-yl]-5-methyloxolan-2-one
SMILESC[C@@H](CO)C(O)C1CC[C@H]([C@]2(C)CC[C@H]([C@]3(C)CCC(=O)O3)O2)O1
InChIInChI=1S/C18H30O6/c1-11(10-19)16(21)12-4-5-13(22-12)17(2)8-6-14(23-17)18(3)9-7-15(20)24-18/h11-14,16,19,21H,4-10H2,1-3H3/t11-,12?,13+,14+,16?,17-,18-/m0/s1
InChIKeyCIJOWEQBLYKHDH-CQRYZTMZSA-N
MW342.43 g/mol
LogP1.56
Rot. Bonds5

About (5S)-5-[(2R,5S)-5-[(2R)-5-[(2S)-1,3-dihydroxy-2-methylpropyl]oxolan-2-yl]-5-methyloxolan-2-yl]-5-methyloxolan-2-one

(5S)-5-[(2R,5S)-5-[(2R)-5-[(2S)-1,3-dihydroxy-2-methylpropyl]oxolan-2-yl]-5-methyloxolan-2-yl]-5-methyloxolan-2-one (PubChem CID 135068832) has the molecular formula C18H30O6 and a molecular weight of 342.43 g/mol. Its IUPAC name is (5S)-5-[(2R,5S)-5-[(2R)-5-[(2S)-1,3-dihydroxy-2-methylpropyl]oxolan-2-yl]-5-methyloxolan-2-yl]-5-methyloxolan-2-one.

Molecular Properties

Compound Name(5S)-5-[(2R,5S)-5-[(2R)-5-[(2S)-1,3-dihydroxy-2-methylpropyl]oxolan-2-yl]-5-methyloxolan-2-yl]-5-methyloxolan-2-one
PubChem CID135068832
Molecular FormulaC18H30O6
Molecular Weight342.43 g/mol
Exact Mass342.20
IUPAC Name(5S)-5-[(2R,5S)-5-[(2R)-5-[(2S)-1,3-dihydroxy-2-methylpropyl]oxolan-2-yl]-5-methyloxolan-2-yl]-5-methyloxolan-2-one
SMILESC[C@@H](CO)C(O)C1CC[C@H]([C@]2(C)CC[C@H]([C@]3(C)CCC(=O)O3)O2)O1
InChIInChI=1S/C18H30O6/c1-11(10-19)16(21)12-4-5-13(22-12)17(2)8-6-14(23-17)18(3)9-7-15(20)24-18/h11-14,16,19,21H,4-10H2,1-3H3/t11-,12?,13+,14+,16?,17-,18-/m0/s1
InChIKeyCIJOWEQBLYKHDH-CQRYZTMZSA-N
XLogP1.56
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (5S)-5-[(2R,5S)-5-[(2R)-5-[(2S)-1,3-dihydroxy-2-methylpropyl]oxolan-2-yl]-5-methyloxolan-2-yl]-5-methyloxolan-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2R,5S)-5-[(2R)-5-[(2S)-1,3-dihydroxy-2-methylpropyl]oxolan-2-yl]-5-methyloxolan-2-yl]-5-methyloxolan-2-one?
The IUPAC name of (5S)-5-[(2R,5S)-5-[(2R)-5-[(2S)-1,3-dihydroxy-2-methylpropyl]oxolan-2-yl]-5-methyloxolan-2-yl]-5-methyloxolan-2-one (CID 135068832) is (5S)-5-[(2R,5S)-5-[(2R)-5-[(2S)-1,3-dihydroxy-2-methylpropyl]oxolan-2-yl]-5-methyloxolan-2-yl]-5-methyloxolan-2-one.
What is the SMILES notation for (5S)-5-[(2R,5S)-5-[(2R)-5-[(2S)-1,3-dihydroxy-2-methylpropyl]oxolan-2-yl]-5-methyloxolan-2-yl]-5-methyloxolan-2-one?
The canonical SMILES for (5S)-5-[(2R,5S)-5-[(2R)-5-[(2S)-1,3-dihydroxy-2-methylpropyl]oxolan-2-yl]-5-methyloxolan-2-yl]-5-methyloxolan-2-one is C[C@@H](CO)C(O)C1CC[C@H]([C@]2(C)CC[C@H]([C@]3(C)CCC(=O)O3)O2)O1.
What is the InChIKey of (5S)-5-[(2R,5S)-5-[(2R)-5-[(2S)-1,3-dihydroxy-2-methylpropyl]oxolan-2-yl]-5-methyloxolan-2-yl]-5-methyloxolan-2-one?
The InChIKey is CIJOWEQBLYKHDH-CQRYZTMZSA-N. The full InChI is InChI=1S/C18H30O6/c1-11(10-19)16(21)12-4-5-13(22-12)17(2)8-6-14(23-17)18(3)9-7-15(20)24-18/h11-14,16,19,21H,4-10H2,1-3H3/t11-,12?,13+,14+,16?,17-,18-/m0/s1.
What are the key properties of (5S)-5-[(2R,5S)-5-[(2R)-5-[(2S)-1,3-dihydroxy-2-methylpropyl]oxolan-2-yl]-5-methyloxolan-2-yl]-5-methyloxolan-2-one?
(5S)-5-[(2R,5S)-5-[(2R)-5-[(2S)-1,3-dihydroxy-2-methylpropyl]oxolan-2-yl]-5-methyloxolan-2-yl]-5-methyloxolan-2-one has a molecular weight of 342.43 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(2R,5S)-5-[(2R)-5-[(2S)-1,3-dihydroxy-2-methylpropyl]oxolan-2-yl]-5-methyloxolan-2-yl]-5-methyloxolan-2-one is sourced from PubChem (CID 135068832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).