5-(hydroxymethyl)-2,2-dimethyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-6,7-diol

C10H18O5 — CID 138640825

IUPAC5-(hydroxymethyl)-2,2-dimethyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-6,7-diol
SMILESCC1(C)CC2OC(CO)C(O)C(O)C2O1
InChIInChI=1S/C10H18O5/c1-10(2)3-5-9(15-10)8(13)7(12)6(4-11)14-5/h5-9,11-13H,3-4H2,1-2H3
InChIKeyBYLCSBMTXDNXDG-UHFFFAOYSA-N
MW218.25 g/mol
LogP-0.96
Rot. Bonds1

About 5-(hydroxymethyl)-2,2-dimethyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-6,7-diol

5-(hydroxymethyl)-2,2-dimethyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-6,7-diol (PubChem CID 138640825) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2,2-dimethyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-6,7-diol.

Molecular Properties

Compound Name5-(hydroxymethyl)-2,2-dimethyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-6,7-diol
PubChem CID138640825
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name5-(hydroxymethyl)-2,2-dimethyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-6,7-diol
SMILESCC1(C)CC2OC(CO)C(O)C(O)C2O1
InChIInChI=1S/C10H18O5/c1-10(2)3-5-9(15-10)8(13)7(12)6(4-11)14-5/h5-9,11-13H,3-4H2,1-2H3
InChIKeyBYLCSBMTXDNXDG-UHFFFAOYSA-N
XLogP-0.96
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-(hydroxymethyl)-2,2-dimethyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-6,7-diol with MolForge

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Related Compounds

(3aR,5R,6S,7S,7aS)-5-(hydroxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-2,6,7-triol
CID 102475258
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-3,4,5-triol
CID 54179921
(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 173365188
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
(2R,3R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 130395874
[(3aR,4S,6R,6aR)-6-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-4-yl]methanol
CID 134233370
(3R)-3-(hydroxymethyl)-2,6-dioxabicyclo[3.2.0]heptan-4-ol
CID 134866326
2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 4670797
(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 146048165
(1S,4R)-3-(hydroxymethyl)-2,7-dioxabicyclo[4.1.0]heptane-4,5-diol
CID 129027244
(3aS,5R,6S,7S,7aR)-2-(aminomethyl)-5-(hydroxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-6,7-diol
CID 131859263
(3aR,6S)-2-(aminomethyl)-5-(hydroxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-6,7-diol
CID 152930911

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2,2-dimethyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-6,7-diol?
The IUPAC name of 5-(hydroxymethyl)-2,2-dimethyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-6,7-diol (CID 138640825) is 5-(hydroxymethyl)-2,2-dimethyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-6,7-diol.
What is the SMILES notation for 5-(hydroxymethyl)-2,2-dimethyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-6,7-diol?
The canonical SMILES for 5-(hydroxymethyl)-2,2-dimethyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-6,7-diol is CC1(C)CC2OC(CO)C(O)C(O)C2O1.
What is the InChIKey of 5-(hydroxymethyl)-2,2-dimethyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-6,7-diol?
The InChIKey is BYLCSBMTXDNXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-10(2)3-5-9(15-10)8(13)7(12)6(4-11)14-5/h5-9,11-13H,3-4H2,1-2H3.
What are the key properties of 5-(hydroxymethyl)-2,2-dimethyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-6,7-diol?
5-(hydroxymethyl)-2,2-dimethyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-6,7-diol has a molecular weight of 218.25 g/mol, XLogP of -0.96, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2,2-dimethyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-6,7-diol is sourced from PubChem (CID 138640825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).