(1R,2S,3S,6R)-6-(methoxymethoxy)-5-(methoxymethoxymethyl)cyclohex-4-ene-1,2,3-triol

C11H20O7 — CID 10683009

IUPAC(1R,2S,3S,6R)-6-(methoxymethoxy)-5-(methoxymethoxymethyl)cyclohex-4-ene-1,2,3-triol
SMILESCOCOCC1=C[C@H](O)[C@H](O)[C@@H](O)[C@@H]1OCOC
InChIInChI=1S/C11H20O7/c1-15-5-17-4-7-3-8(12)9(13)10(14)11(7)18-6-16-2/h3,8-14H,4-6H2,1-2H3/t8-,9-,10+,11+/m0/s1
InChIKeyZUSWQYUZFPJKMX-UKKRHICBSA-N
MW264.27 g/mol
LogP-1.38
Rot. Bonds7

About (1R,2S,3S,6R)-6-(methoxymethoxy)-5-(methoxymethoxymethyl)cyclohex-4-ene-1,2,3-triol

(1R,2S,3S,6R)-6-(methoxymethoxy)-5-(methoxymethoxymethyl)cyclohex-4-ene-1,2,3-triol (PubChem CID 10683009) has the molecular formula C11H20O7 and a molecular weight of 264.27 g/mol. Its IUPAC name is (1R,2S,3S,6R)-6-(methoxymethoxy)-5-(methoxymethoxymethyl)cyclohex-4-ene-1,2,3-triol.

Molecular Properties

Compound Name(1R,2S,3S,6R)-6-(methoxymethoxy)-5-(methoxymethoxymethyl)cyclohex-4-ene-1,2,3-triol
PubChem CID10683009
Molecular FormulaC11H20O7
Molecular Weight264.27 g/mol
Exact Mass264.12
IUPAC Name(1R,2S,3S,6R)-6-(methoxymethoxy)-5-(methoxymethoxymethyl)cyclohex-4-ene-1,2,3-triol
SMILESCOCOCC1=C[C@H](O)[C@H](O)[C@@H](O)[C@@H]1OCOC
InChIInChI=1S/C11H20O7/c1-15-5-17-4-7-3-8(12)9(13)10(14)11(7)18-6-16-2/h3,8-14H,4-6H2,1-2H3/t8-,9-,10+,11+/m0/s1
InChIKeyZUSWQYUZFPJKMX-UKKRHICBSA-N
XLogP-1.38
TPSA97.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3S,6R)-6-(methoxymethoxy)-5-(methoxymethoxymethyl)cyclohex-4-ene-1,2,3-triol?
The IUPAC name of (1R,2S,3S,6R)-6-(methoxymethoxy)-5-(methoxymethoxymethyl)cyclohex-4-ene-1,2,3-triol (CID 10683009) is (1R,2S,3S,6R)-6-(methoxymethoxy)-5-(methoxymethoxymethyl)cyclohex-4-ene-1,2,3-triol.
What is the SMILES notation for (1R,2S,3S,6R)-6-(methoxymethoxy)-5-(methoxymethoxymethyl)cyclohex-4-ene-1,2,3-triol?
The canonical SMILES for (1R,2S,3S,6R)-6-(methoxymethoxy)-5-(methoxymethoxymethyl)cyclohex-4-ene-1,2,3-triol is COCOCC1=C[C@H](O)[C@H](O)[C@@H](O)[C@@H]1OCOC.
What is the InChIKey of (1R,2S,3S,6R)-6-(methoxymethoxy)-5-(methoxymethoxymethyl)cyclohex-4-ene-1,2,3-triol?
The InChIKey is ZUSWQYUZFPJKMX-UKKRHICBSA-N. The full InChI is InChI=1S/C11H20O7/c1-15-5-17-4-7-3-8(12)9(13)10(14)11(7)18-6-16-2/h3,8-14H,4-6H2,1-2H3/t8-,9-,10+,11+/m0/s1.
What are the key properties of (1R,2S,3S,6R)-6-(methoxymethoxy)-5-(methoxymethoxymethyl)cyclohex-4-ene-1,2,3-triol?
(1R,2S,3S,6R)-6-(methoxymethoxy)-5-(methoxymethoxymethyl)cyclohex-4-ene-1,2,3-triol has a molecular weight of 264.27 g/mol, XLogP of -1.38, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3S,6R)-6-(methoxymethoxy)-5-(methoxymethoxymethyl)cyclohex-4-ene-1,2,3-triol is sourced from PubChem (CID 10683009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).