2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5,6-triol

C9H14O5 — CID 14413758

IUPAC2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5,6-triol
SMILESOC1C2CCOC3OCC(O)(C1O)C32
InChIInChI=1S/C9H14O5/c10-6-4-1-2-13-8-5(4)9(12,3-14-8)7(6)11/h4-8,10-12H,1-3H2
InChIKeyQMQZZRSFTSGWJA-UHFFFAOYSA-N
MW202.21 g/mol
LogP-1.54
Rot. Bonds

About 2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5,6-triol

2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5,6-triol (PubChem CID 14413758) has the molecular formula C9H14O5 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5,6-triol.

Molecular Properties

Compound Name2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5,6-triol
PubChem CID14413758
Molecular FormulaC9H14O5
Molecular Weight202.21 g/mol
Exact Mass202.08
IUPAC Name2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5,6-triol
SMILESOC1C2CCOC3OCC(O)(C1O)C32
InChIInChI=1S/C9H14O5/c10-6-4-1-2-13-8-5(4)9(12,3-14-8)7(6)11/h4-8,10-12H,1-3H2
InChIKeyQMQZZRSFTSGWJA-UHFFFAOYSA-N
XLogP-1.54
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-1.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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
Patriridoside F
CID 71454805
(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 2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5,6-triol?
The IUPAC name of 2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5,6-triol (CID 14413758) is 2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5,6-triol.
What is the SMILES notation for 2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5,6-triol?
The canonical SMILES for 2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5,6-triol is OC1C2CCOC3OCC(O)(C1O)C32.
What is the InChIKey of 2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5,6-triol?
The InChIKey is QMQZZRSFTSGWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O5/c10-6-4-1-2-13-8-5(4)9(12,3-14-8)7(6)11/h4-8,10-12H,1-3H2.
What are the key properties of 2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5,6-triol?
2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5,6-triol has a molecular weight of 202.21 g/mol, XLogP of -1.54, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5,6-triol is sourced from PubChem (CID 14413758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).