(1S,2S,5R,6R,7S,8S,11S)-7-hydroxy-5-(hydroxymethyl)-11-[(2R)-1-hydroxypropan-2-yl]-6-methyl-9-oxatricyclo[6.2.1.02,6]undecan-10-one

C15H24O5 — CID 24777877

IUPAC(1S,2S,5R,6R,7S,8S,11S)-7-hydroxy-5-(hydroxymethyl)-11-[(2R)-1-hydroxypropan-2-yl]-6-methyl-9-oxatricyclo[6.2.1.02,6]undecan-10-one
SMILESC[C@@H](CO)[C@@H]1[C@@H]2OC(=O)[C@H]1[C@@H]1CC[C@@H](CO)[C@]1(C)[C@@H]2O
InChIInChI=1S/C15H24O5/c1-7(5-16)10-11-9-4-3-8(6-17)15(9,2)13(18)12(10)20-14(11)19/h7-13,16-18H,3-6H2,1-2H3/t7-,8-,9-,10-,11-,12-,13+,15-/m0/s1
InChIKeyKPIIQGDEMVORCO-DWIAQZJOSA-N
MW284.35 g/mol
LogP0.17
Rot. Bonds3

About (1S,2S,5R,6R,7S,8S,11S)-7-hydroxy-5-(hydroxymethyl)-11-[(2R)-1-hydroxypropan-2-yl]-6-methyl-9-oxatricyclo[6.2.1.02,6]undecan-10-one

(1S,2S,5R,6R,7S,8S,11S)-7-hydroxy-5-(hydroxymethyl)-11-[(2R)-1-hydroxypropan-2-yl]-6-methyl-9-oxatricyclo[6.2.1.02,6]undecan-10-one (PubChem CID 24777877) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is (1S,2S,5R,6R,7S,8S,11S)-7-hydroxy-5-(hydroxymethyl)-11-[(2R)-1-hydroxypropan-2-yl]-6-methyl-9-oxatricyclo[6.2.1.02,6]undecan-10-one.

Molecular Properties

Compound Name(1S,2S,5R,6R,7S,8S,11S)-7-hydroxy-5-(hydroxymethyl)-11-[(2R)-1-hydroxypropan-2-yl]-6-methyl-9-oxatricyclo[6.2.1.02,6]undecan-10-one
PubChem CID24777877
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name(1S,2S,5R,6R,7S,8S,11S)-7-hydroxy-5-(hydroxymethyl)-11-[(2R)-1-hydroxypropan-2-yl]-6-methyl-9-oxatricyclo[6.2.1.02,6]undecan-10-one
SMILESC[C@@H](CO)[C@@H]1[C@@H]2OC(=O)[C@H]1[C@@H]1CC[C@@H](CO)[C@]1(C)[C@@H]2O
InChIInChI=1S/C15H24O5/c1-7(5-16)10-11-9-4-3-8(6-17)15(9,2)13(18)12(10)20-14(11)19/h7-13,16-18H,3-6H2,1-2H3/t7-,8-,9-,10-,11-,12-,13+,15-/m0/s1
InChIKeyKPIIQGDEMVORCO-DWIAQZJOSA-N
XLogP0.17
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (1S,2S,5R,6R,7S,8S,11S)-7-hydroxy-5-(hydroxymethyl)-11-[(2R)-1-hydroxypropan-2-yl]-6-methyl-9-oxatricyclo[6.2.1.02,6]undecan-10-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 (1S,2S,5R,6R,7S,8S,11S)-7-hydroxy-5-(hydroxymethyl)-11-[(2R)-1-hydroxypropan-2-yl]-6-methyl-9-oxatricyclo[6.2.1.02,6]undecan-10-one?
The IUPAC name of (1S,2S,5R,6R,7S,8S,11S)-7-hydroxy-5-(hydroxymethyl)-11-[(2R)-1-hydroxypropan-2-yl]-6-methyl-9-oxatricyclo[6.2.1.02,6]undecan-10-one (CID 24777877) is (1S,2S,5R,6R,7S,8S,11S)-7-hydroxy-5-(hydroxymethyl)-11-[(2R)-1-hydroxypropan-2-yl]-6-methyl-9-oxatricyclo[6.2.1.02,6]undecan-10-one.
What is the SMILES notation for (1S,2S,5R,6R,7S,8S,11S)-7-hydroxy-5-(hydroxymethyl)-11-[(2R)-1-hydroxypropan-2-yl]-6-methyl-9-oxatricyclo[6.2.1.02,6]undecan-10-one?
The canonical SMILES for (1S,2S,5R,6R,7S,8S,11S)-7-hydroxy-5-(hydroxymethyl)-11-[(2R)-1-hydroxypropan-2-yl]-6-methyl-9-oxatricyclo[6.2.1.02,6]undecan-10-one is C[C@@H](CO)[C@@H]1[C@@H]2OC(=O)[C@H]1[C@@H]1CC[C@@H](CO)[C@]1(C)[C@@H]2O.
What is the InChIKey of (1S,2S,5R,6R,7S,8S,11S)-7-hydroxy-5-(hydroxymethyl)-11-[(2R)-1-hydroxypropan-2-yl]-6-methyl-9-oxatricyclo[6.2.1.02,6]undecan-10-one?
The InChIKey is KPIIQGDEMVORCO-DWIAQZJOSA-N. The full InChI is InChI=1S/C15H24O5/c1-7(5-16)10-11-9-4-3-8(6-17)15(9,2)13(18)12(10)20-14(11)19/h7-13,16-18H,3-6H2,1-2H3/t7-,8-,9-,10-,11-,12-,13+,15-/m0/s1.
What are the key properties of (1S,2S,5R,6R,7S,8S,11S)-7-hydroxy-5-(hydroxymethyl)-11-[(2R)-1-hydroxypropan-2-yl]-6-methyl-9-oxatricyclo[6.2.1.02,6]undecan-10-one?
(1S,2S,5R,6R,7S,8S,11S)-7-hydroxy-5-(hydroxymethyl)-11-[(2R)-1-hydroxypropan-2-yl]-6-methyl-9-oxatricyclo[6.2.1.02,6]undecan-10-one has a molecular weight of 284.35 g/mol, XLogP of 0.17, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5R,6R,7S,8S,11S)-7-hydroxy-5-(hydroxymethyl)-11-[(2R)-1-hydroxypropan-2-yl]-6-methyl-9-oxatricyclo[6.2.1.02,6]undecan-10-one is sourced from PubChem (CID 24777877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).