(1R,4S,6R,7R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,6-diol

C9H14O4 — CID 71716363

IUPAC(1R,4S,6R,7R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,6-diol
SMILESO[C@@H]1C[C@@]2(O)CO[C@H]3OCC[C@@H]1[C@H]32
InChIInChI=1S/C9H14O4/c10-6-3-9(11)4-13-8-7(9)5(6)1-2-12-8/h5-8,10-11H,1-4H2/t5-,6+,7+,8+,9+/m0/s1
InChIKeyBTEXLTIFAISPOI-XDQCBXAXSA-N
MW186.21 g/mol
LogP-0.51
Rot. Bonds

About (1R,4S,6R,7R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,6-diol

(1R,4S,6R,7R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,6-diol (PubChem CID 71716363) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is (1R,4S,6R,7R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,6-diol.

Molecular Properties

Compound Name(1R,4S,6R,7R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,6-diol
PubChem CID71716363
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name(1R,4S,6R,7R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,6-diol
SMILESO[C@@H]1C[C@@]2(O)CO[C@H]3OCC[C@@H]1[C@H]32
InChIInChI=1S/C9H14O4/c10-6-3-9(11)4-13-8-7(9)5(6)1-2-12-8/h5-8,10-11H,1-4H2/t5-,6+,7+,8+,9+/m0/s1
InChIKeyBTEXLTIFAISPOI-XDQCBXAXSA-N
XLogP-0.51
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R,4S,6R,7R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,6-diol with MolForge

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Related Compounds

Rehmaglutin A
CID 5320903
Rehmaglutin D
CID 5320906
Kankanol
CID 11492263
(1S,3R,4aR,5R,7S,7aS)-1,3-dimethoxy-7-methyl-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-5,7-diol
CID 14486937
(1R,4S,5S,6S,7R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5,6-triol
CID 16082029
(1S,2S,4S,5S,6R,10R)-10-ethoxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]decan-5-ol
CID 16082032
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S,2S,4R,5R,8R,9S,11R,12R)-11-hydroxy-2-methyl-3,6,10-trioxatetracyclo[6.3.1.02,4.05,12]dodecan-9-yl]oxy]oxane-3,4,5-triol
CID 102252289
Adenosmoside
CID 71716364
(1S,4S,5R,6S,7R,9S,11S)-9-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5,6-triol
CID 14413755
(1S,2S,4S,5S,6R,8S,10S)-2-(hydroxymethyl)-8,10-dimethoxy-3,9-dioxatricyclo[4.4.0.02,4]decan-5-ol
CID 14486934
(1R,4aR,5S,6R,7R,7aS)-7-(hydroxymethyl)-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-1,5,6,7-tetrol
CID 16104906
(2S,4S,5S,10R)-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]decane-5,10-diol
CID 101706271

Frequently Asked Questions

What is the IUPAC name of (1R,4S,6R,7R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,6-diol?
The IUPAC name of (1R,4S,6R,7R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,6-diol (CID 71716363) is (1R,4S,6R,7R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,6-diol.
What is the SMILES notation for (1R,4S,6R,7R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,6-diol?
The canonical SMILES for (1R,4S,6R,7R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,6-diol is O[C@@H]1C[C@@]2(O)CO[C@H]3OCC[C@@H]1[C@H]32.
What is the InChIKey of (1R,4S,6R,7R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,6-diol?
The InChIKey is BTEXLTIFAISPOI-XDQCBXAXSA-N. The full InChI is InChI=1S/C9H14O4/c10-6-3-9(11)4-13-8-7(9)5(6)1-2-12-8/h5-8,10-11H,1-4H2/t5-,6+,7+,8+,9+/m0/s1.
What are the key properties of (1R,4S,6R,7R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,6-diol?
(1R,4S,6R,7R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,6-diol has a molecular weight of 186.21 g/mol, XLogP of -0.51, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,6R,7R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,6-diol is sourced from PubChem (CID 71716363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).