(1R,4R,5S,6S,7R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecane-5,6-diol

C9H14O4 — CID 135036814

IUPAC(1R,4R,5S,6S,7R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecane-5,6-diol
SMILESO[C@@H]1[C@@H](O)[C@@H]2CCO[C@@H]3OC[C@H]1[C@@H]32
InChIInChI=1S/C9H14O4/c10-7-4-1-2-12-9-6(4)5(3-13-9)8(7)11/h4-11H,1-3H2/t4-,5+,6+,7+,8+,9-/m1/s1
InChIKeyRGJBWHLDRWJZQJ-FLVWBKNLSA-N
MW186.21 g/mol
LogP-0.65
Rot. Bonds

About (1R,4R,5S,6S,7R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecane-5,6-diol

(1R,4R,5S,6S,7R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecane-5,6-diol (PubChem CID 135036814) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is (1R,4R,5S,6S,7R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecane-5,6-diol.

Molecular Properties

Compound Name(1R,4R,5S,6S,7R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecane-5,6-diol
PubChem CID135036814
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name(1R,4R,5S,6S,7R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecane-5,6-diol
SMILESO[C@@H]1[C@@H](O)[C@@H]2CCO[C@@H]3OC[C@H]1[C@@H]32
InChIInChI=1S/C9H14O4/c10-7-4-1-2-12-9-6(4)5(3-13-9)8(7)11/h4-11H,1-3H2/t4-,5+,6+,7+,8+,9-/m1/s1
InChIKeyRGJBWHLDRWJZQJ-FLVWBKNLSA-N
XLogP-0.65
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 ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R,4R,5S,6S,7R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecane-5,6-diol with MolForge

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Related Compounds

Rehmaglutin A
CID 5320903
Kankanol
CID 11492263
(1R,4S,5S,6S,7R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5,6-triol
CID 16082029
(1S,4S,5R,6S,7R,9S,11S)-9-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5,6-triol
CID 14413755
(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
2,10-Dioxatricyclo[5.3.1.04,11]undecane-4,5,6-triol
CID 14413758
2,10-Dioxatricyclo[5.3.1.04,11]undecane-4,5-diol
CID 74951122
7-(hydroxymethyl)-1,3-dimethoxy-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-5,6,7-triol
CID 162857026
(2aS,4R,4aR)-Hexahydro-2H-1,7-dioxacyclopenta[cd]indene-2a,4(3H)-diol
CID 71716363
2-[2-[7-Hydroxy-7-(hydroxymethyl)-2-oxabicyclo[2.2.1]heptan-1-yl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 14466840
Cistanin
CID 44205314
(1R,4S,5R,6S,7R,11S)-6-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5-diol
CID 102153621

Frequently Asked Questions

What is the IUPAC name of (1R,4R,5S,6S,7R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecane-5,6-diol?
The IUPAC name of (1R,4R,5S,6S,7R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecane-5,6-diol (CID 135036814) is (1R,4R,5S,6S,7R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecane-5,6-diol.
What is the SMILES notation for (1R,4R,5S,6S,7R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecane-5,6-diol?
The canonical SMILES for (1R,4R,5S,6S,7R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecane-5,6-diol is O[C@@H]1[C@@H](O)[C@@H]2CCO[C@@H]3OC[C@H]1[C@@H]32.
What is the InChIKey of (1R,4R,5S,6S,7R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecane-5,6-diol?
The InChIKey is RGJBWHLDRWJZQJ-FLVWBKNLSA-N. The full InChI is InChI=1S/C9H14O4/c10-7-4-1-2-12-9-6(4)5(3-13-9)8(7)11/h4-11H,1-3H2/t4-,5+,6+,7+,8+,9-/m1/s1.
What are the key properties of (1R,4R,5S,6S,7R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecane-5,6-diol?
(1R,4R,5S,6S,7R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecane-5,6-diol has a molecular weight of 186.21 g/mol, XLogP of -0.65, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,5S,6S,7R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecane-5,6-diol is sourced from PubChem (CID 135036814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).