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

C11H20O7 — CID 162857027

IUPAC(1R,3S,4aR,5S,6S,7R,7aS)-7-(hydroxymethyl)-1,3-dimethoxy-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-5,6,7-triol
SMILESCO[C@@H]1C[C@H]2[C@H](O)[C@H](O)[C@](O)(CO)[C@H]2[C@H](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/t5-,6+,7-,8+,9+,10-,11+/m1/s1
InChIKeyOZSDFEKEIRKWSX-WNWDDGRKSA-N
MW264.27 g/mol
LogP-1.96
Rot. Bonds3

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

(1R,3S,4aR,5S,6S,7R,7aS)-7-(hydroxymethyl)-1,3-dimethoxy-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-5,6,7-triol (PubChem CID 162857027) has the molecular formula C11H20O7 and a molecular weight of 264.27 g/mol. Its IUPAC name is (1R,3S,4aR,5S,6S,7R,7aS)-7-(hydroxymethyl)-1,3-dimethoxy-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-5,6,7-triol.

Molecular Properties

Compound Name(1R,3S,4aR,5S,6S,7R,7aS)-7-(hydroxymethyl)-1,3-dimethoxy-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-5,6,7-triol
PubChem CID162857027
Molecular FormulaC11H20O7
Molecular Weight264.27 g/mol
Exact Mass264.12
IUPAC Name(1R,3S,4aR,5S,6S,7R,7aS)-7-(hydroxymethyl)-1,3-dimethoxy-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-5,6,7-triol
SMILESCO[C@@H]1C[C@H]2[C@H](O)[C@H](O)[C@](O)(CO)[C@H]2[C@H](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/t5-,6+,7-,8+,9+,10-,11+/m1/s1
InChIKeyOZSDFEKEIRKWSX-WNWDDGRKSA-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

Analyze (1R,3S,4aR,5S,6S,7R,7aS)-7-(hydroxymethyl)-1,3-dimethoxy-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-5,6,7-triol with MolForge

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Related Compounds

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Rehmaglutin A
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(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
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Patriridoside F
CID 71454805
(1S,3S,4S,6S,7S,10R)-3,10-dimethyl-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol
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Frequently Asked Questions

What is the IUPAC name of (1R,3S,4aR,5S,6S,7R,7aS)-7-(hydroxymethyl)-1,3-dimethoxy-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-5,6,7-triol?
The IUPAC name of (1R,3S,4aR,5S,6S,7R,7aS)-7-(hydroxymethyl)-1,3-dimethoxy-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-5,6,7-triol (CID 162857027) is (1R,3S,4aR,5S,6S,7R,7aS)-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 (1R,3S,4aR,5S,6S,7R,7aS)-7-(hydroxymethyl)-1,3-dimethoxy-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-5,6,7-triol?
The canonical SMILES for (1R,3S,4aR,5S,6S,7R,7aS)-7-(hydroxymethyl)-1,3-dimethoxy-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-5,6,7-triol is CO[C@@H]1C[C@H]2[C@H](O)[C@H](O)[C@](O)(CO)[C@H]2[C@H](OC)O1.
What is the InChIKey of (1R,3S,4aR,5S,6S,7R,7aS)-7-(hydroxymethyl)-1,3-dimethoxy-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-5,6,7-triol?
The InChIKey is OZSDFEKEIRKWSX-WNWDDGRKSA-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/t5-,6+,7-,8+,9+,10-,11+/m1/s1.
What are the key properties of (1R,3S,4aR,5S,6S,7R,7aS)-7-(hydroxymethyl)-1,3-dimethoxy-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-5,6,7-triol?
(1R,3S,4aR,5S,6S,7R,7aS)-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 (1R,3S,4aR,5S,6S,7R,7aS)-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 162857027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).