(1R,4R,7S,8S)-2,5-dioxabicyclo[2.2.2]octane-1,4,7,8-tetrol

C6H10O6 — CID 131004421

IUPAC(1R,4R,7S,8S)-2,5-dioxabicyclo[2.2.2]octane-1,4,7,8-tetrol
SMILESO[C@H]1[C@H](O)[C@@]2(O)CO[C@]1(O)CO2
InChIInChI=1S/C6H10O6/c7-3-4(8)6(10)2-12-5(3,9)1-11-6/h3-4,7-10H,1-2H2/t3-,4-,5+,6+/m0/s1
InChIKeyHDBDSFLMOWWRBQ-UNTFVMJOSA-N
MW178.14 g/mol
LogP-2.85
Rot. Bonds

About (1R,4R,7S,8S)-2,5-dioxabicyclo[2.2.2]octane-1,4,7,8-tetrol

(1R,4R,7S,8S)-2,5-dioxabicyclo[2.2.2]octane-1,4,7,8-tetrol (PubChem CID 131004421) has the molecular formula C6H10O6 and a molecular weight of 178.14 g/mol. Its IUPAC name is (1R,4R,7S,8S)-2,5-dioxabicyclo[2.2.2]octane-1,4,7,8-tetrol.

Molecular Properties

Compound Name(1R,4R,7S,8S)-2,5-dioxabicyclo[2.2.2]octane-1,4,7,8-tetrol
PubChem CID131004421
Molecular FormulaC6H10O6
Molecular Weight178.14 g/mol
Exact Mass178.05
IUPAC Name(1R,4R,7S,8S)-2,5-dioxabicyclo[2.2.2]octane-1,4,7,8-tetrol
SMILESO[C@H]1[C@H](O)[C@@]2(O)CO[C@]1(O)CO2
InChIInChI=1S/C6H10O6/c7-3-4(8)6(10)2-12-5(3,9)1-11-6/h3-4,7-10H,1-2H2/t3-,4-,5+,6+/m0/s1
InChIKeyHDBDSFLMOWWRBQ-UNTFVMJOSA-N
XLogP-2.85
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.14
LogP ≤ 5-2.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R,4R,7S,8S)-2,5-dioxabicyclo[2.2.2]octane-1,4,7,8-tetrol?
The IUPAC name of (1R,4R,7S,8S)-2,5-dioxabicyclo[2.2.2]octane-1,4,7,8-tetrol (CID 131004421) is (1R,4R,7S,8S)-2,5-dioxabicyclo[2.2.2]octane-1,4,7,8-tetrol.
What is the SMILES notation for (1R,4R,7S,8S)-2,5-dioxabicyclo[2.2.2]octane-1,4,7,8-tetrol?
The canonical SMILES for (1R,4R,7S,8S)-2,5-dioxabicyclo[2.2.2]octane-1,4,7,8-tetrol is O[C@H]1[C@H](O)[C@@]2(O)CO[C@]1(O)CO2.
What is the InChIKey of (1R,4R,7S,8S)-2,5-dioxabicyclo[2.2.2]octane-1,4,7,8-tetrol?
The InChIKey is HDBDSFLMOWWRBQ-UNTFVMJOSA-N. The full InChI is InChI=1S/C6H10O6/c7-3-4(8)6(10)2-12-5(3,9)1-11-6/h3-4,7-10H,1-2H2/t3-,4-,5+,6+/m0/s1.
What are the key properties of (1R,4R,7S,8S)-2,5-dioxabicyclo[2.2.2]octane-1,4,7,8-tetrol?
(1R,4R,7S,8S)-2,5-dioxabicyclo[2.2.2]octane-1,4,7,8-tetrol has a molecular weight of 178.14 g/mol, XLogP of -2.85, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,7S,8S)-2,5-dioxabicyclo[2.2.2]octane-1,4,7,8-tetrol is sourced from PubChem (CID 131004421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).