(3R,4R,6R)-4,6-dimethoxyoxan-3-ol

C7H14O4 — CID 131103746

IUPAC(3R,4R,6R)-4,6-dimethoxyoxan-3-ol
SMILESCO[C@H]1C[C@@H](OC)[C@H](O)CO1
InChIInChI=1S/C7H14O4/c1-9-6-3-7(10-2)11-4-5(6)8/h5-8H,3-4H2,1-2H3/t5-,6-,7-/m1/s1
InChIKeyAYXRNVPIFQIDHV-FSDSQADBSA-N
MW162.18 g/mol
LogP-0.24
Rot. Bonds2

About (3R,4R,6R)-4,6-dimethoxyoxan-3-ol

(3R,4R,6R)-4,6-dimethoxyoxan-3-ol (PubChem CID 131103746) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is (3R,4R,6R)-4,6-dimethoxyoxan-3-ol.

Molecular Properties

Compound Name(3R,4R,6R)-4,6-dimethoxyoxan-3-ol
PubChem CID131103746
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name(3R,4R,6R)-4,6-dimethoxyoxan-3-ol
SMILESCO[C@H]1C[C@@H](OC)[C@H](O)CO1
InChIInChI=1S/C7H14O4/c1-9-6-3-7(10-2)11-4-5(6)8/h5-8H,3-4H2,1-2H3/t5-,6-,7-/m1/s1
InChIKeyAYXRNVPIFQIDHV-FSDSQADBSA-N
XLogP-0.24
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,6R)-4,6-dimethoxyoxan-3-ol?
The IUPAC name of (3R,4R,6R)-4,6-dimethoxyoxan-3-ol (CID 131103746) is (3R,4R,6R)-4,6-dimethoxyoxan-3-ol.
What is the SMILES notation for (3R,4R,6R)-4,6-dimethoxyoxan-3-ol?
The canonical SMILES for (3R,4R,6R)-4,6-dimethoxyoxan-3-ol is CO[C@H]1C[C@@H](OC)[C@H](O)CO1.
What is the InChIKey of (3R,4R,6R)-4,6-dimethoxyoxan-3-ol?
The InChIKey is AYXRNVPIFQIDHV-FSDSQADBSA-N. The full InChI is InChI=1S/C7H14O4/c1-9-6-3-7(10-2)11-4-5(6)8/h5-8H,3-4H2,1-2H3/t5-,6-,7-/m1/s1.
What are the key properties of (3R,4R,6R)-4,6-dimethoxyoxan-3-ol?
(3R,4R,6R)-4,6-dimethoxyoxan-3-ol has a molecular weight of 162.18 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,6R)-4,6-dimethoxyoxan-3-ol is sourced from PubChem (CID 131103746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).