methyl 2-[(2S,3aR,5R,6aR)-5-(hydroxymethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]acetate

C10H16O5 — CID 10262744

IUPACmethyl 2-[(2S,3aR,5R,6aR)-5-(hydroxymethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]acetate
SMILESCOC(=O)C[C@@H]1C[C@H]2O[C@@H](CO)C[C@H]2O1
InChIInChI=1S/C10H16O5/c1-13-10(12)4-6-2-8-9(14-6)3-7(5-11)15-8/h6-9,11H,2-5H2,1H3/t6-,7+,8+,9+/m0/s1
InChIKeyGFQQFZITFFFCKN-JQCXWYLXSA-N
MW216.23 g/mol
LogP-0.14
Rot. Bonds3

About methyl 2-[(2S,3aR,5R,6aR)-5-(hydroxymethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]acetate

methyl 2-[(2S,3aR,5R,6aR)-5-(hydroxymethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]acetate (PubChem CID 10262744) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is methyl 2-[(2S,3aR,5R,6aR)-5-(hydroxymethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2S,3aR,5R,6aR)-5-(hydroxymethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]acetate
PubChem CID10262744
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Namemethyl 2-[(2S,3aR,5R,6aR)-5-(hydroxymethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]acetate
SMILESCOC(=O)C[C@@H]1C[C@H]2O[C@@H](CO)C[C@H]2O1
InChIInChI=1S/C10H16O5/c1-13-10(12)4-6-2-8-9(14-6)3-7(5-11)15-8/h6-9,11H,2-5H2,1H3/t6-,7+,8+,9+/m0/s1
InChIKeyGFQQFZITFFFCKN-JQCXWYLXSA-N
XLogP-0.14
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(2S,3aR,5R,6aR)-5-(hydroxymethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]acetate with MolForge

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Related Compounds

2,3-Dihydroxypropyl 5-hydroxydodecanoate
CID 175553
2,3-Dihydroxypropyl 5-hydroxydecanoate
CID 5463954
Sorbitan monocaprylate
CID 90474014
(2S,3R,3aS,6aS)-2-(decoxymethyl)-3-hydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 44580177
(2S,3R,3aR,6aR)-2-(fluoromethyl)-3-hydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 137636811
(2S,3R,3aR,6aR)-2-(dihydroxymethyl)-3-hydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 155555893
(2R,3S,3aR,6aR)-3-hydroxy-2-(hydroxymethyl)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 11829931
1,4:3,6-Dianhydro-D-glucitol monolaurate
CID 10853743
Sorbitan, nonanoate
CID 73556984
(2S,3R,3aS,6aS)-3-hydroxy-2-(nonoxymethyl)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 44580326
6-O-Palmitoyl-L-ascorbate
CID 44588046
[(1S)-1-[(2R,3S,3aR,6aR)-3-hydroxy-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-2-yl]ethyl] acetate
CID 132489970

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S,3aR,5R,6aR)-5-(hydroxymethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]acetate?
The IUPAC name of methyl 2-[(2S,3aR,5R,6aR)-5-(hydroxymethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]acetate (CID 10262744) is methyl 2-[(2S,3aR,5R,6aR)-5-(hydroxymethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2S,3aR,5R,6aR)-5-(hydroxymethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]acetate?
The canonical SMILES for methyl 2-[(2S,3aR,5R,6aR)-5-(hydroxymethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]acetate is COC(=O)C[C@@H]1C[C@H]2O[C@@H](CO)C[C@H]2O1.
What is the InChIKey of methyl 2-[(2S,3aR,5R,6aR)-5-(hydroxymethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]acetate?
The InChIKey is GFQQFZITFFFCKN-JQCXWYLXSA-N. The full InChI is InChI=1S/C10H16O5/c1-13-10(12)4-6-2-8-9(14-6)3-7(5-11)15-8/h6-9,11H,2-5H2,1H3/t6-,7+,8+,9+/m0/s1.
What are the key properties of methyl 2-[(2S,3aR,5R,6aR)-5-(hydroxymethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]acetate?
methyl 2-[(2S,3aR,5R,6aR)-5-(hydroxymethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]acetate has a molecular weight of 216.23 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S,3aR,5R,6aR)-5-(hydroxymethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]acetate is sourced from PubChem (CID 10262744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).