(1R,5S,6R,8S)-6,7,8,9-tetrahydroxy-2,4-dioxabicyclo[3.3.1]nonan-3-one

C7H10O7 — CID 11788970

IUPAC(1R,5S,6R,8S)-6,7,8,9-tetrahydroxy-2,4-dioxabicyclo[3.3.1]nonan-3-one
SMILESO=C1O[C@@H]2C(O)[C@H](O1)[C@@H](O)C(O)[C@H]2O
InChIInChI=1S/C7H10O7/c8-1-2(9)5-4(11)6(3(1)10)14-7(12)13-5/h1-6,8-11H/t1?,2-,3+,4?,5+,6-
InChIKeyJLWBVOFRKIMFDQ-WJPCITMWSA-N
MW206.15 g/mol
LogP-2.65
Rot. Bonds

About (1R,5S,6R,8S)-6,7,8,9-tetrahydroxy-2,4-dioxabicyclo[3.3.1]nonan-3-one

(1R,5S,6R,8S)-6,7,8,9-tetrahydroxy-2,4-dioxabicyclo[3.3.1]nonan-3-one (PubChem CID 11788970) has the molecular formula C7H10O7 and a molecular weight of 206.15 g/mol. Its IUPAC name is (1R,5S,6R,8S)-6,7,8,9-tetrahydroxy-2,4-dioxabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name(1R,5S,6R,8S)-6,7,8,9-tetrahydroxy-2,4-dioxabicyclo[3.3.1]nonan-3-one
PubChem CID11788970
Molecular FormulaC7H10O7
Molecular Weight206.15 g/mol
Exact Mass206.04
IUPAC Name(1R,5S,6R,8S)-6,7,8,9-tetrahydroxy-2,4-dioxabicyclo[3.3.1]nonan-3-one
SMILESO=C1O[C@@H]2C(O)[C@H](O1)[C@@H](O)C(O)[C@H]2O
InChIInChI=1S/C7H10O7/c8-1-2(9)5-4(11)6(3(1)10)14-7(12)13-5/h1-6,8-11H/t1?,2-,3+,4?,5+,6-
InChIKeyJLWBVOFRKIMFDQ-WJPCITMWSA-N
XLogP-2.65
TPSA116.45 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.15
LogP ≤ 5-2.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1R,5S,6R,8S)-6,7,8,9-tetrahydroxy-2,4-dioxabicyclo[3.3.1]nonan-3-one?
The IUPAC name of (1R,5S,6R,8S)-6,7,8,9-tetrahydroxy-2,4-dioxabicyclo[3.3.1]nonan-3-one (CID 11788970) is (1R,5S,6R,8S)-6,7,8,9-tetrahydroxy-2,4-dioxabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for (1R,5S,6R,8S)-6,7,8,9-tetrahydroxy-2,4-dioxabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for (1R,5S,6R,8S)-6,7,8,9-tetrahydroxy-2,4-dioxabicyclo[3.3.1]nonan-3-one is O=C1O[C@@H]2C(O)[C@H](O1)[C@@H](O)C(O)[C@H]2O.
What is the InChIKey of (1R,5S,6R,8S)-6,7,8,9-tetrahydroxy-2,4-dioxabicyclo[3.3.1]nonan-3-one?
The InChIKey is JLWBVOFRKIMFDQ-WJPCITMWSA-N. The full InChI is InChI=1S/C7H10O7/c8-1-2(9)5-4(11)6(3(1)10)14-7(12)13-5/h1-6,8-11H/t1?,2-,3+,4?,5+,6-.
What are the key properties of (1R,5S,6R,8S)-6,7,8,9-tetrahydroxy-2,4-dioxabicyclo[3.3.1]nonan-3-one?
(1R,5S,6R,8S)-6,7,8,9-tetrahydroxy-2,4-dioxabicyclo[3.3.1]nonan-3-one has a molecular weight of 206.15 g/mol, XLogP of -2.65, 0 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,6R,8S)-6,7,8,9-tetrahydroxy-2,4-dioxabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 11788970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).