(4R,5S,6R,7S)-2,8-dioxabicyclo[3.2.1]octane-4,6,7-triol

C6H10O5 — CID 178051967

IUPAC(4R,5S,6R,7S)-2,8-dioxabicyclo[3.2.1]octane-4,6,7-triol
SMILESO[C@H]1[C@H]2OC(OC[C@H]2O)[C@H]1O
InChIInChI=1S/C6H10O5/c7-2-1-10-6-4(9)3(8)5(2)11-6/h2-9H,1H2/t2-,3-,4+,5+,6?/m1/s1
InChIKeyGYNYBVOAJFHCRG-QTVWNMPRSA-N
MW162.14 g/mol
LogP-2.18
Rot. Bonds

About (4R,5S,6R,7S)-2,8-dioxabicyclo[3.2.1]octane-4,6,7-triol

(4R,5S,6R,7S)-2,8-dioxabicyclo[3.2.1]octane-4,6,7-triol (PubChem CID 178051967) has the molecular formula C6H10O5 and a molecular weight of 162.14 g/mol. Its IUPAC name is (4R,5S,6R,7S)-2,8-dioxabicyclo[3.2.1]octane-4,6,7-triol.

Molecular Properties

Compound Name(4R,5S,6R,7S)-2,8-dioxabicyclo[3.2.1]octane-4,6,7-triol
PubChem CID178051967
Molecular FormulaC6H10O5
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Name(4R,5S,6R,7S)-2,8-dioxabicyclo[3.2.1]octane-4,6,7-triol
SMILESO[C@H]1[C@H]2OC(OC[C@H]2O)[C@H]1O
InChIInChI=1S/C6H10O5/c7-2-1-10-6-4(9)3(8)5(2)11-6/h2-9H,1H2/t2-,3-,4+,5+,6?/m1/s1
InChIKeyGYNYBVOAJFHCRG-QTVWNMPRSA-N
XLogP-2.18
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-2.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (4R,5S,6R,7S)-2,8-dioxabicyclo[3.2.1]octane-4,6,7-triol with MolForge

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Related Compounds

(3aR,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol
CID 129010301
(3aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol
CID 145221120
bis((3S,4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol);(3R,4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol;(3S,4S)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol
CID 158449841
4-methyl-2,7-dioxabicyclo[4.1.0]heptan-5-ol
CID 171562837
(1R,4R,5R,6S,7R)-6,7-bis(phenylmethoxy)-2,8-dioxabicyclo[3.2.1]octan-4-ol
CID 10947855
12,25-bis(hydroxymethyl)-2,9,11,15,22,24,29-heptaoxatetracyclo[21.3.1.13,7.110,14]nonacosane-4,5,6,13,17,18,19,20,26,27,28-undecol
CID 70940829
(1R,4S,5R,8S)-2,6-dioxabicyclo[3.2.1]octane-4,8-diol
CID 11040833
2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;oxolane-3,4-diol
CID 163497744
5,10,15,20,25,30,39-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,36,38-tetradecaoxaoctacyclo[35.2.2.23,6.28,11.213,16.218,21.223,26.228,31]tripentacontane-40,41,42,43,44,45,46,47,48,49,50,51,52,53-tetradecol
CID 176648323
2-propan-2-yl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-6,7-diol
CID 171620800
(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol;(3aR,4R,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol
CID 159842811
(3aR,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol
CID 124524160

Frequently Asked Questions

What is the IUPAC name of (4R,5S,6R,7S)-2,8-dioxabicyclo[3.2.1]octane-4,6,7-triol?
The IUPAC name of (4R,5S,6R,7S)-2,8-dioxabicyclo[3.2.1]octane-4,6,7-triol (CID 178051967) is (4R,5S,6R,7S)-2,8-dioxabicyclo[3.2.1]octane-4,6,7-triol.
What is the SMILES notation for (4R,5S,6R,7S)-2,8-dioxabicyclo[3.2.1]octane-4,6,7-triol?
The canonical SMILES for (4R,5S,6R,7S)-2,8-dioxabicyclo[3.2.1]octane-4,6,7-triol is O[C@H]1[C@H]2OC(OC[C@H]2O)[C@H]1O.
What is the InChIKey of (4R,5S,6R,7S)-2,8-dioxabicyclo[3.2.1]octane-4,6,7-triol?
The InChIKey is GYNYBVOAJFHCRG-QTVWNMPRSA-N. The full InChI is InChI=1S/C6H10O5/c7-2-1-10-6-4(9)3(8)5(2)11-6/h2-9H,1H2/t2-,3-,4+,5+,6?/m1/s1.
What are the key properties of (4R,5S,6R,7S)-2,8-dioxabicyclo[3.2.1]octane-4,6,7-triol?
(4R,5S,6R,7S)-2,8-dioxabicyclo[3.2.1]octane-4,6,7-triol has a molecular weight of 162.14 g/mol, XLogP of -2.18, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S,6R,7S)-2,8-dioxabicyclo[3.2.1]octane-4,6,7-triol is sourced from PubChem (CID 178051967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).