(2R,3S,3aS,5S,6aS)-3-hydroxy-2-methylspiro[3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5,5'-furan]-2'-one

C10H12O5 — CID 134859452

IUPAC(2R,3S,3aS,5S,6aS)-3-hydroxy-2-methylspiro[3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5,5'-furan]-2'-one
SMILESC[C@H]1O[C@H]2C[C@]3(C=CC(=O)O3)O[C@H]2[C@H]1O
InChIInChI=1S/C10H12O5/c1-5-8(12)9-6(13-5)4-10(15-9)3-2-7(11)14-10/h2-3,5-6,8-9,12H,4H2,1H3/t5-,6+,8+,9-,10+/m1/s1
InChIKeyVRNZBLTUSHYQEF-OQYXUJGNSA-N
MW212.20 g/mol
LogP-0.27
Rot. Bonds

About (2R,3S,3aS,5S,6aS)-3-hydroxy-2-methylspiro[3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5,5'-furan]-2'-one

(2R,3S,3aS,5S,6aS)-3-hydroxy-2-methylspiro[3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5,5'-furan]-2'-one (PubChem CID 134859452) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is (2R,3S,3aS,5S,6aS)-3-hydroxy-2-methylspiro[3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5,5'-furan]-2'-one.

Molecular Properties

Compound Name(2R,3S,3aS,5S,6aS)-3-hydroxy-2-methylspiro[3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5,5'-furan]-2'-one
PubChem CID134859452
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Name(2R,3S,3aS,5S,6aS)-3-hydroxy-2-methylspiro[3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5,5'-furan]-2'-one
SMILESC[C@H]1O[C@H]2C[C@]3(C=CC(=O)O3)O[C@H]2[C@H]1O
InChIInChI=1S/C10H12O5/c1-5-8(12)9-6(13-5)4-10(15-9)3-2-7(11)14-10/h2-3,5-6,8-9,12H,4H2,1H3/t5-,6+,8+,9-,10+/m1/s1
InChIKeyVRNZBLTUSHYQEF-OQYXUJGNSA-N
XLogP-0.27
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R,3S,3aS,5S,6aS)-3-hydroxy-2-methylspiro[3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5,5'-furan]-2'-one with MolForge

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Related Compounds

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CID 10353119
Murranolide A
CID 139589663
ethyl (Z)-3-[(4R,5S)-5-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 5469056
3-[(S)-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-hydroxymethyl]-2H-furan-5-one
CID 135011326
(1S,2R,6R,8R,9S,10R)-9-hydroxy-4,4-dimethylspiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-10,5'-furan]-2'-one
CID 135011362
(1S,2R,6R,8R,9S,10S)-9-hydroxy-4,4-dimethylspiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-10,5'-furan]-2'-one
CID 135011363
(1S,2R,6R,8R,9R,10R)-9-hydroxy-4,4-dimethylspiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-10,5'-furan]-2'-one
CID 135011364
(1S,2R,6R,8R,9R,10S)-9-hydroxy-4,4-dimethylspiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-10,5'-furan]-2'-one
CID 135011365
(3R,3aR,5R,6aR)-2,3,6-trihydroxyspiro[3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5,5'-furan]-2'-one
CID 135011714
3-[(R)-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-hydroxymethyl]-2H-furan-5-one
CID 135012468
(3R,3aR,6aR)-2,3,6-trihydroxyspiro[3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5,5'-furan]-2'-one
CID 135038886
(3R,3aR,5S,6aR)-2,3,6-trihydroxyspiro[3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5,5'-furan]-2'-one
CID 135038891

Frequently Asked Questions

What is the IUPAC name of (2R,3S,3aS,5S,6aS)-3-hydroxy-2-methylspiro[3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5,5'-furan]-2'-one?
The IUPAC name of (2R,3S,3aS,5S,6aS)-3-hydroxy-2-methylspiro[3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5,5'-furan]-2'-one (CID 134859452) is (2R,3S,3aS,5S,6aS)-3-hydroxy-2-methylspiro[3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5,5'-furan]-2'-one.
What is the SMILES notation for (2R,3S,3aS,5S,6aS)-3-hydroxy-2-methylspiro[3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5,5'-furan]-2'-one?
The canonical SMILES for (2R,3S,3aS,5S,6aS)-3-hydroxy-2-methylspiro[3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5,5'-furan]-2'-one is C[C@H]1O[C@H]2C[C@]3(C=CC(=O)O3)O[C@H]2[C@H]1O.
What is the InChIKey of (2R,3S,3aS,5S,6aS)-3-hydroxy-2-methylspiro[3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5,5'-furan]-2'-one?
The InChIKey is VRNZBLTUSHYQEF-OQYXUJGNSA-N. The full InChI is InChI=1S/C10H12O5/c1-5-8(12)9-6(13-5)4-10(15-9)3-2-7(11)14-10/h2-3,5-6,8-9,12H,4H2,1H3/t5-,6+,8+,9-,10+/m1/s1.
What are the key properties of (2R,3S,3aS,5S,6aS)-3-hydroxy-2-methylspiro[3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5,5'-furan]-2'-one?
(2R,3S,3aS,5S,6aS)-3-hydroxy-2-methylspiro[3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5,5'-furan]-2'-one has a molecular weight of 212.20 g/mol, XLogP of -0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,3aS,5S,6aS)-3-hydroxy-2-methylspiro[3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5,5'-furan]-2'-one is sourced from PubChem (CID 134859452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).