7-(hydroxymethyl)-1,3-dimethoxy-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-5,6,7-triol

C11H20O7 — CID 162857026

IUPAC7-(hydroxymethyl)-1,3-dimethoxy-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-5,6,7-triol
SMILESCOC1CC2C(O)C(O)C(O)(CO)C2C(OC)O1
InChIInChI=1S/C11H20O7/c1-16-6-3-5-7(10(17-2)18-6)11(15,4-12)9(14)8(5)13/h5-10,12-15H,3-4H2,1-2H3
InChIKeyOZSDFEKEIRKWSX-UHFFFAOYSA-N
MW264.27 g/mol
LogP-1.96
Rot. Bonds3

About 7-(hydroxymethyl)-1,3-dimethoxy-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-5,6,7-triol

7-(hydroxymethyl)-1,3-dimethoxy-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-5,6,7-triol (PubChem CID 162857026) has the molecular formula C11H20O7 and a molecular weight of 264.27 g/mol. Its IUPAC name is 7-(hydroxymethyl)-1,3-dimethoxy-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-5,6,7-triol.

Molecular Properties

Compound Name7-(hydroxymethyl)-1,3-dimethoxy-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-5,6,7-triol
PubChem CID162857026
Molecular FormulaC11H20O7
Molecular Weight264.27 g/mol
Exact Mass264.12
IUPAC Name7-(hydroxymethyl)-1,3-dimethoxy-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-5,6,7-triol
SMILESCOC1CC2C(O)C(O)C(O)(CO)C2C(OC)O1
InChIInChI=1S/C11H20O7/c1-16-6-3-5-7(10(17-2)18-6)11(15,4-12)9(14)8(5)13/h5-10,12-15H,3-4H2,1-2H3
InChIKeyOZSDFEKEIRKWSX-UHFFFAOYSA-N
XLogP-1.96
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 5-1.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

NCGC00385391-01_C21H38O10_2-[2,3,8-Trihydroxy-8-(hydroxymethyl)-3-methyldecahydro-5-azulenyl]-2-propanyl beta-D-glucopyranoside
CID 14507477
Rehmaglutin A
CID 5320903
beta-D-Glucopyranoside, (1aS,1bS,2S,6R,6aS,6bS)-octahydro-6-hydroxy-1a-(hydroxymethyl)oxireno(4,5)cyclopenta(1,2-c)pyran-2-yl
CID 5705531
(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
Methylscutelloside
CID 54586746
(1S,3S,4S,6S,7S,10S)-3,10-dimethyl-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol
CID 71449448
Patriridoside F
CID 71454805
(1S,3S,4S,6S,7S,10R)-3,10-dimethyl-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol
CID 71456580
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

Frequently Asked Questions

What is the IUPAC name of 7-(hydroxymethyl)-1,3-dimethoxy-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-5,6,7-triol?
The IUPAC name of 7-(hydroxymethyl)-1,3-dimethoxy-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-5,6,7-triol (CID 162857026) is 7-(hydroxymethyl)-1,3-dimethoxy-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-5,6,7-triol.
What is the SMILES notation for 7-(hydroxymethyl)-1,3-dimethoxy-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-5,6,7-triol?
The canonical SMILES for 7-(hydroxymethyl)-1,3-dimethoxy-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-5,6,7-triol is COC1CC2C(O)C(O)C(O)(CO)C2C(OC)O1.
What is the InChIKey of 7-(hydroxymethyl)-1,3-dimethoxy-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-5,6,7-triol?
The InChIKey is OZSDFEKEIRKWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O7/c1-16-6-3-5-7(10(17-2)18-6)11(15,4-12)9(14)8(5)13/h5-10,12-15H,3-4H2,1-2H3.
What are the key properties of 7-(hydroxymethyl)-1,3-dimethoxy-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-5,6,7-triol?
7-(hydroxymethyl)-1,3-dimethoxy-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-5,6,7-triol has a molecular weight of 264.27 g/mol, XLogP of -1.96, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(hydroxymethyl)-1,3-dimethoxy-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-5,6,7-triol is sourced from PubChem (CID 162857026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).