(3aR,6R,6aR)-6-(hydroxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one

C6H8O5 — CID 11147869

IUPAC(3aR,6R,6aR)-6-(hydroxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
SMILESO=C1O[C@H](CO)[C@H]2OCO[C@@H]12
InChIInChI=1S/C6H8O5/c7-1-3-4-5(6(8)11-3)10-2-9-4/h3-5,7H,1-2H2/t3-,4-,5-/m1/s1
InChIKeyBQUWSJAOVPWMGZ-UOWFLXDJSA-N
MW160.12 g/mol
LogP-1.35
Rot. Bonds1

About (3aR,6R,6aR)-6-(hydroxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one

(3aR,6R,6aR)-6-(hydroxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one (PubChem CID 11147869) has the molecular formula C6H8O5 and a molecular weight of 160.12 g/mol. Its IUPAC name is (3aR,6R,6aR)-6-(hydroxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one.

Molecular Properties

Compound Name(3aR,6R,6aR)-6-(hydroxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
PubChem CID11147869
Molecular FormulaC6H8O5
Molecular Weight160.12 g/mol
Exact Mass160.04
IUPAC Name(3aR,6R,6aR)-6-(hydroxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
SMILESO=C1O[C@H](CO)[C@H]2OCO[C@@H]12
InChIInChI=1S/C6H8O5/c7-1-3-4-5(6(8)11-3)10-2-9-4/h3-5,7H,1-2H2/t3-,4-,5-/m1/s1
InChIKeyBQUWSJAOVPWMGZ-UOWFLXDJSA-N
XLogP-1.35
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 5-1.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3aR,6R,6aR)-6-(hydroxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one with MolForge

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Related Compounds

[(4R,8R,8aR)-4-(hydroxymethyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methanol
CID 163521645
(3aS,6R)-6-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 130425860
(3S,4R,5S)-5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-one
CID 22887066
(1R,4S,5S)-4-(hydroxymethyl)-3-oxabicyclo[3.1.0]hexan-2-one
CID 15852575
[(4R,4aR,8aR)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]methanol
CID 130978557
(3S,4R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one
CID 144754191
(3R,4R,5S)-3,4-diamino-5-(hydroxymethyl)oxolan-2-one
CID 55290895
(4S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one
CID 148905339
(4R,6R)-4,6-bis(hydroxymethyl)-1,3-dioxan-5-one
CID 119097386
(5S,6R)-5-hydroxy-6-(hydroxymethyl)oxane-2,3-dione
CID 45083324
(1R,3aR,6aS)-1-(hydroxymethyl)-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one
CID 101403884
(4R,5S,6R)-4,5-dihydroxy-3-(hydroxyamino)-6-(hydroxymethyl)oxan-2-one
CID 123518429

Frequently Asked Questions

What is the IUPAC name of (3aR,6R,6aR)-6-(hydroxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one?
The IUPAC name of (3aR,6R,6aR)-6-(hydroxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one (CID 11147869) is (3aR,6R,6aR)-6-(hydroxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one.
What is the SMILES notation for (3aR,6R,6aR)-6-(hydroxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one?
The canonical SMILES for (3aR,6R,6aR)-6-(hydroxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one is O=C1O[C@H](CO)[C@H]2OCO[C@@H]12.
What is the InChIKey of (3aR,6R,6aR)-6-(hydroxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one?
The InChIKey is BQUWSJAOVPWMGZ-UOWFLXDJSA-N. The full InChI is InChI=1S/C6H8O5/c7-1-3-4-5(6(8)11-3)10-2-9-4/h3-5,7H,1-2H2/t3-,4-,5-/m1/s1.
What are the key properties of (3aR,6R,6aR)-6-(hydroxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one?
(3aR,6R,6aR)-6-(hydroxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one has a molecular weight of 160.12 g/mol, XLogP of -1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6R,6aR)-6-(hydroxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one is sourced from PubChem (CID 11147869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).