(1R,2R,3R,4S,5R)-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol

C7H12O6 — CID 51003894

IUPAC(1R,2R,3R,4S,5R)-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
SMILESOC[C@]12CO[C@H](O1)[C@@H](O)[C@H](O)[C@H]2O
InChIInChI=1S/C7H12O6/c8-1-7-2-12-6(13-7)4(10)3(9)5(7)11/h3-6,8-11H,1-2H2/t3-,4-,5+,6+,7+/m0/s1
InChIKeyUQLOKDSDWXQUBM-PAMBMQIZSA-N
MW192.17 g/mol
LogP-2.81
Rot. Bonds1

About (1R,2R,3R,4S,5R)-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol

(1R,2R,3R,4S,5R)-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol (PubChem CID 51003894) has the molecular formula C7H12O6 and a molecular weight of 192.17 g/mol. Its IUPAC name is (1R,2R,3R,4S,5R)-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol.

Molecular Properties

Compound Name(1R,2R,3R,4S,5R)-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
PubChem CID51003894
Molecular FormulaC7H12O6
Molecular Weight192.17 g/mol
Exact Mass192.06
IUPAC Name(1R,2R,3R,4S,5R)-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
SMILESOC[C@]12CO[C@H](O1)[C@@H](O)[C@H](O)[C@H]2O
InChIInChI=1S/C7H12O6/c8-1-7-2-12-6(13-7)4(10)3(9)5(7)11/h3-6,8-11H,1-2H2/t3-,4-,5+,6+,7+/m0/s1
InChIKeyUQLOKDSDWXQUBM-PAMBMQIZSA-N
XLogP-2.81
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 5-2.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (1R,2R,3R,4S,5R)-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol with MolForge

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Related Compounds

(1S,2R,3R,5S)-1-(hydroxymethyl)-4-(methylamino)-6,8-dioxabicyclo[3.2.1]octane-2,3-diol
CID 139392935
1-[(1S,2R,3R,4R,5S)-2,3-dihydroxy-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]propan-2-one
CID 152993725
tert-butyl N-[(1S,2R,3R,4R,5R)-2,3-dihydroxy-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]-N-methylcarbamate
CID 118520791
2-[(1S,2R,3R,4R,5S)-2,3-dihydroxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-1-yl]acetic acid
CID 118523608
tert-butyl N-[[(1S,2R,3R,4R,5S)-2,3-dihydroxy-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]methyl]carbamate
CID 121483391
CID 20675291
CID 20675291
(1S,2R,3R,4R)-4-methyl-1-[(2-methylpropan-2-yl)oxymethyl]-6,8-dioxabicyclo[3.2.1]octane-2,3-diol
CID 170003814
(1R,4R,7R)-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-7-ol
CID 54084561
N-[(2S,3R,4R,5R,6R)-6-(aminomethyl)-4,5-dihydroxy-2-methoxyoxan-3-yl]acetamide;N-[(2S,3R,4R,5R)-4,5-dihydroxy-6,6-bis(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide;N-[(1S,2R,3R,4R,5S)-2,3-dihydroxy-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
CID 158394005
N-[(1S,2R,3R,4R,5S)-2,3-dihydroxy-1-(sulfanylmethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
CID 123215610
methane;(1S,2R,3R,4R,5S)-4-methyl-1-[(2-methylpropan-2-yl)oxymethyl]-6,8-dioxabicyclo[3.2.1]octane-2,3-diol
CID 158061142
[(1S,2S,3S,4S)-2,3,4-tris(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-1-yl]methanol
CID 174043893

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,4S,5R)-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol?
The IUPAC name of (1R,2R,3R,4S,5R)-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol (CID 51003894) is (1R,2R,3R,4S,5R)-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol.
What is the SMILES notation for (1R,2R,3R,4S,5R)-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol?
The canonical SMILES for (1R,2R,3R,4S,5R)-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol is OC[C@]12CO[C@H](O1)[C@@H](O)[C@H](O)[C@H]2O.
What is the InChIKey of (1R,2R,3R,4S,5R)-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol?
The InChIKey is UQLOKDSDWXQUBM-PAMBMQIZSA-N. The full InChI is InChI=1S/C7H12O6/c8-1-7-2-12-6(13-7)4(10)3(9)5(7)11/h3-6,8-11H,1-2H2/t3-,4-,5+,6+,7+/m0/s1.
What are the key properties of (1R,2R,3R,4S,5R)-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol?
(1R,2R,3R,4S,5R)-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol has a molecular weight of 192.17 g/mol, XLogP of -2.81, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,4S,5R)-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol is sourced from PubChem (CID 51003894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).