(1R,3R,4R,5S,6S,7R)-3-methoxy-2-oxabicyclo[2.2.2]octane-4,5,6,7-tetrol

C8H14O6 — CID 102307677

IUPAC(1R,3R,4R,5S,6S,7R)-3-methoxy-2-oxabicyclo[2.2.2]octane-4,5,6,7-tetrol
SMILESCO[C@@H]1O[C@H]2[C@@H](O)[C@H](O)[C@]1(O)C[C@H]2O
InChIInChI=1S/C8H14O6/c1-13-7-8(12)2-3(9)5(14-7)4(10)6(8)11/h3-7,9-12H,2H2,1H3/t3-,4-,5-,6+,7-,8-/m1/s1
InChIKeyVZFBVMQZGZKJAW-CVBHLRHXSA-N
MW206.19 g/mol
LogP-2.42
Rot. Bonds1

About (1R,3R,4R,5S,6S,7R)-3-methoxy-2-oxabicyclo[2.2.2]octane-4,5,6,7-tetrol

(1R,3R,4R,5S,6S,7R)-3-methoxy-2-oxabicyclo[2.2.2]octane-4,5,6,7-tetrol (PubChem CID 102307677) has the molecular formula C8H14O6 and a molecular weight of 206.19 g/mol. Its IUPAC name is (1R,3R,4R,5S,6S,7R)-3-methoxy-2-oxabicyclo[2.2.2]octane-4,5,6,7-tetrol.

Molecular Properties

Compound Name(1R,3R,4R,5S,6S,7R)-3-methoxy-2-oxabicyclo[2.2.2]octane-4,5,6,7-tetrol
PubChem CID102307677
Molecular FormulaC8H14O6
Molecular Weight206.19 g/mol
Exact Mass206.08
IUPAC Name(1R,3R,4R,5S,6S,7R)-3-methoxy-2-oxabicyclo[2.2.2]octane-4,5,6,7-tetrol
SMILESCO[C@@H]1O[C@H]2[C@@H](O)[C@H](O)[C@]1(O)C[C@H]2O
InChIInChI=1S/C8H14O6/c1-13-7-8(12)2-3(9)5(14-7)4(10)6(8)11/h3-7,9-12H,2H2,1H3/t3-,4-,5-,6+,7-,8-/m1/s1
InChIKeyVZFBVMQZGZKJAW-CVBHLRHXSA-N
XLogP-2.42
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 5-2.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R,3R,4R,5S,6S,7R)-3-methoxy-2-oxabicyclo[2.2.2]octane-4,5,6,7-tetrol?
The IUPAC name of (1R,3R,4R,5S,6S,7R)-3-methoxy-2-oxabicyclo[2.2.2]octane-4,5,6,7-tetrol (CID 102307677) is (1R,3R,4R,5S,6S,7R)-3-methoxy-2-oxabicyclo[2.2.2]octane-4,5,6,7-tetrol.
What is the SMILES notation for (1R,3R,4R,5S,6S,7R)-3-methoxy-2-oxabicyclo[2.2.2]octane-4,5,6,7-tetrol?
The canonical SMILES for (1R,3R,4R,5S,6S,7R)-3-methoxy-2-oxabicyclo[2.2.2]octane-4,5,6,7-tetrol is CO[C@@H]1O[C@H]2[C@@H](O)[C@H](O)[C@]1(O)C[C@H]2O.
What is the InChIKey of (1R,3R,4R,5S,6S,7R)-3-methoxy-2-oxabicyclo[2.2.2]octane-4,5,6,7-tetrol?
The InChIKey is VZFBVMQZGZKJAW-CVBHLRHXSA-N. The full InChI is InChI=1S/C8H14O6/c1-13-7-8(12)2-3(9)5(14-7)4(10)6(8)11/h3-7,9-12H,2H2,1H3/t3-,4-,5-,6+,7-,8-/m1/s1.
What are the key properties of (1R,3R,4R,5S,6S,7R)-3-methoxy-2-oxabicyclo[2.2.2]octane-4,5,6,7-tetrol?
(1R,3R,4R,5S,6S,7R)-3-methoxy-2-oxabicyclo[2.2.2]octane-4,5,6,7-tetrol has a molecular weight of 206.19 g/mol, XLogP of -2.42, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,4R,5S,6S,7R)-3-methoxy-2-oxabicyclo[2.2.2]octane-4,5,6,7-tetrol is sourced from PubChem (CID 102307677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).