6-hydroxy-4-(hydroxymethyl)-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one

C7H10O5 — CID 170688748

IUPAC6-hydroxy-4-(hydroxymethyl)-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one
SMILESO=C1CC2C(CO)OC(O)C2O1
InChIInChI=1S/C7H10O5/c8-2-4-3-1-5(9)12-6(3)7(10)11-4/h3-4,6-8,10H,1-2H2
InChIKeyQMENCUHOGDCMNL-UHFFFAOYSA-N
MW174.15 g/mol
LogP-1.37
Rot. Bonds1

About 6-hydroxy-4-(hydroxymethyl)-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one

6-hydroxy-4-(hydroxymethyl)-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one (PubChem CID 170688748) has the molecular formula C7H10O5 and a molecular weight of 174.15 g/mol. Its IUPAC name is 6-hydroxy-4-(hydroxymethyl)-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one.

Molecular Properties

Compound Name6-hydroxy-4-(hydroxymethyl)-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one
PubChem CID170688748
Molecular FormulaC7H10O5
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Name6-hydroxy-4-(hydroxymethyl)-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one
SMILESO=C1CC2C(CO)OC(O)C2O1
InChIInChI=1S/C7H10O5/c8-2-4-3-1-5(9)12-6(3)7(10)11-4/h3-4,6-8,10H,1-2H2
InChIKeyQMENCUHOGDCMNL-UHFFFAOYSA-N
XLogP-1.37
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S,3aS,6aS)-3-hydroxy-2-(hydroxymethyl)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 11148015
(4S,5R)-5-(hydroxymethyl)-4-methyloxolan-2-one
CID 10820549
(1R,2R,4R,5R)-4-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-ol
CID 141076482
(3aS,5R,6R,6aR)-6-hydroxy-5-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 132544569
(4R,5S)-5-hydroxy-4-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 12940653
(3aS,4R,5S,6aR)-5-hydroxy-4-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 11084331
(3aS,4R,5S,6aS)-5-hydroxy-4-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 98113714
(4aS,5S,7S)-5-(hydroxymethyl)-7-methyl-3,4,4a,5,7,7a-hexahydrofuro[3,4-e][1,3]oxazin-2-one
CID 88976631
(4R,5R)-5-(hydroxymethyl)-4-phenyloxolan-2-one
CID 25179342
(4R,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-one
CID 13330008
(5S,6R)-5-hydroxy-6-(hydroxymethyl)oxane-2,3-dione
CID 45083324
(3aR,4R,6R,7R,7aR)-4,7-dihydroxy-6-(hydroxymethyl)-3,3a,4,6,7,7a-hexahydropyrano[3,4-d][1,3]oxazol-2-one
CID 166683873

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-(hydroxymethyl)-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one?
The IUPAC name of 6-hydroxy-4-(hydroxymethyl)-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one (CID 170688748) is 6-hydroxy-4-(hydroxymethyl)-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one.
What is the SMILES notation for 6-hydroxy-4-(hydroxymethyl)-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one?
The canonical SMILES for 6-hydroxy-4-(hydroxymethyl)-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one is O=C1CC2C(CO)OC(O)C2O1.
What is the InChIKey of 6-hydroxy-4-(hydroxymethyl)-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one?
The InChIKey is QMENCUHOGDCMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O5/c8-2-4-3-1-5(9)12-6(3)7(10)11-4/h3-4,6-8,10H,1-2H2.
What are the key properties of 6-hydroxy-4-(hydroxymethyl)-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one?
6-hydroxy-4-(hydroxymethyl)-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one has a molecular weight of 174.15 g/mol, XLogP of -1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-(hydroxymethyl)-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one is sourced from PubChem (CID 170688748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).