4-(hydroxymethyl)-2-methyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-6,7-diol

C8H14O6 — CID 171620815

IUPAC4-(hydroxymethyl)-2-methyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-6,7-diol
SMILESCC1OC(CO)C2OC(O)C(O)C2O1
InChIInChI=1S/C8H14O6/c1-3-12-4(2-9)6-7(13-3)5(10)8(11)14-6/h3-11H,2H2,1H3
InChIKeySRGSUYDXZITWMJ-UHFFFAOYSA-N
MW206.19 g/mol
LogP-1.81
Rot. Bonds1

About 4-(hydroxymethyl)-2-methyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-6,7-diol

4-(hydroxymethyl)-2-methyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-6,7-diol (PubChem CID 171620815) has the molecular formula C8H14O6 and a molecular weight of 206.19 g/mol. Its IUPAC name is 4-(hydroxymethyl)-2-methyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-6,7-diol.

Molecular Properties

Compound Name4-(hydroxymethyl)-2-methyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-6,7-diol
PubChem CID171620815
Molecular FormulaC8H14O6
Molecular Weight206.19 g/mol
Exact Mass206.08
IUPAC Name4-(hydroxymethyl)-2-methyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-6,7-diol
SMILESCC1OC(CO)C2OC(O)C(O)C2O1
InChIInChI=1S/C8H14O6/c1-3-12-4(2-9)6-7(13-3)5(10)8(11)14-6/h3-11H,2H2,1H3
InChIKeySRGSUYDXZITWMJ-UHFFFAOYSA-N
XLogP-1.81
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 5-1.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-(hydroxymethyl)-2-methyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-6,7-diol with MolForge

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Related Compounds

ethane;2-(hydroxymethyl)-3,7-dioxabicyclo[4.1.0]heptane-4,5-diol
CID 143692870
(4,11-dimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methanol
CID 90051132
(3aS,5R,6S,7S,7aS)-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-6,7-diol
CID 11095756
(2R,3aR,5R,6S,7S,7aR)-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-6,7-diol
CID 15929663
(3aR,5R,6S,7S,7aR)-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-6,7-diol
CID 11030980
(1R,2R,4R,5R)-4-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-ol
CID 141076482
(1R,2R,4S,5R,6S)-2-(hydroxymethyl)-4-methoxy-3,7-dioxabicyclo[4.1.0]heptan-5-ol
CID 102017861
(2S,3R,5S)-6-(hydroxymethyl)-4-methyloxane-2,3,5-triol
CID 148775123
2-methyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-6,7-diol
CID 171620816
(2S)-4-(hydroxymethyl)oxetane-2,3-diol
CID 130341188
(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
(2R,3S,4S,5S)-2-methyl-6-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-3,4,5-triol
CID 18666984

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-2-methyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-6,7-diol?
The IUPAC name of 4-(hydroxymethyl)-2-methyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-6,7-diol (CID 171620815) is 4-(hydroxymethyl)-2-methyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-6,7-diol.
What is the SMILES notation for 4-(hydroxymethyl)-2-methyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-6,7-diol?
The canonical SMILES for 4-(hydroxymethyl)-2-methyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-6,7-diol is CC1OC(CO)C2OC(O)C(O)C2O1.
What is the InChIKey of 4-(hydroxymethyl)-2-methyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-6,7-diol?
The InChIKey is SRGSUYDXZITWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O6/c1-3-12-4(2-9)6-7(13-3)5(10)8(11)14-6/h3-11H,2H2,1H3.
What are the key properties of 4-(hydroxymethyl)-2-methyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-6,7-diol?
4-(hydroxymethyl)-2-methyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-6,7-diol has a molecular weight of 206.19 g/mol, XLogP of -1.81, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-2-methyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-6,7-diol is sourced from PubChem (CID 171620815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).