(3R,3aR,5R,5'S,6aR)-3-hydroxy-5'-methylspiro[3,3a,6,6a-tetrahydrofuro[3,2-b]furan-5,2'-oxolane]-2-one

C10H14O5 — CID 42599432

IUPAC(3R,3aR,5R,5'S,6aR)-3-hydroxy-5'-methylspiro[3,3a,6,6a-tetrahydrofuro[3,2-b]furan-5,2'-oxolane]-2-one
SMILESC[C@H]1CC[C@@]2(C[C@H]3OC(=O)[C@H](O)[C@H]3O2)O1
InChIInChI=1S/C10H14O5/c1-5-2-3-10(14-5)4-6-8(15-10)7(11)9(12)13-6/h5-8,11H,2-4H2,1H3/t5-,6+,7+,8-,10+/m0/s1
InChIKeyMUCCMLIKJRUYPD-IWYOCHMKSA-N
MW214.22 g/mol
LogP-0.04
Rot. Bonds

About (3R,3aR,5R,5'S,6aR)-3-hydroxy-5'-methylspiro[3,3a,6,6a-tetrahydrofuro[3,2-b]furan-5,2'-oxolane]-2-one

(3R,3aR,5R,5'S,6aR)-3-hydroxy-5'-methylspiro[3,3a,6,6a-tetrahydrofuro[3,2-b]furan-5,2'-oxolane]-2-one (PubChem CID 42599432) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is (3R,3aR,5R,5'S,6aR)-3-hydroxy-5'-methylspiro[3,3a,6,6a-tetrahydrofuro[3,2-b]furan-5,2'-oxolane]-2-one.

Molecular Properties

Compound Name(3R,3aR,5R,5'S,6aR)-3-hydroxy-5'-methylspiro[3,3a,6,6a-tetrahydrofuro[3,2-b]furan-5,2'-oxolane]-2-one
PubChem CID42599432
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name(3R,3aR,5R,5'S,6aR)-3-hydroxy-5'-methylspiro[3,3a,6,6a-tetrahydrofuro[3,2-b]furan-5,2'-oxolane]-2-one
SMILESC[C@H]1CC[C@@]2(C[C@H]3OC(=O)[C@H](O)[C@H]3O2)O1
InChIInChI=1S/C10H14O5/c1-5-2-3-10(14-5)4-6-8(15-10)7(11)9(12)13-6/h5-8,11H,2-4H2,1H3/t5-,6+,7+,8-,10+/m0/s1
InChIKeyMUCCMLIKJRUYPD-IWYOCHMKSA-N
XLogP-0.04
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R,3aR,5R,5'S,6aR)-3-hydroxy-5'-methylspiro[3,3a,6,6a-tetrahydrofuro[3,2-b]furan-5,2'-oxolane]-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,3aR,5R,5'S,6aR)-3-hydroxy-5'-methylspiro[3,3a,6,6a-tetrahydrofuro[3,2-b]furan-5,2'-oxolane]-2-one?
The IUPAC name of (3R,3aR,5R,5'S,6aR)-3-hydroxy-5'-methylspiro[3,3a,6,6a-tetrahydrofuro[3,2-b]furan-5,2'-oxolane]-2-one (CID 42599432) is (3R,3aR,5R,5'S,6aR)-3-hydroxy-5'-methylspiro[3,3a,6,6a-tetrahydrofuro[3,2-b]furan-5,2'-oxolane]-2-one.
What is the SMILES notation for (3R,3aR,5R,5'S,6aR)-3-hydroxy-5'-methylspiro[3,3a,6,6a-tetrahydrofuro[3,2-b]furan-5,2'-oxolane]-2-one?
The canonical SMILES for (3R,3aR,5R,5'S,6aR)-3-hydroxy-5'-methylspiro[3,3a,6,6a-tetrahydrofuro[3,2-b]furan-5,2'-oxolane]-2-one is C[C@H]1CC[C@@]2(C[C@H]3OC(=O)[C@H](O)[C@H]3O2)O1.
What is the InChIKey of (3R,3aR,5R,5'S,6aR)-3-hydroxy-5'-methylspiro[3,3a,6,6a-tetrahydrofuro[3,2-b]furan-5,2'-oxolane]-2-one?
The InChIKey is MUCCMLIKJRUYPD-IWYOCHMKSA-N. The full InChI is InChI=1S/C10H14O5/c1-5-2-3-10(14-5)4-6-8(15-10)7(11)9(12)13-6/h5-8,11H,2-4H2,1H3/t5-,6+,7+,8-,10+/m0/s1.
What are the key properties of (3R,3aR,5R,5'S,6aR)-3-hydroxy-5'-methylspiro[3,3a,6,6a-tetrahydrofuro[3,2-b]furan-5,2'-oxolane]-2-one?
(3R,3aR,5R,5'S,6aR)-3-hydroxy-5'-methylspiro[3,3a,6,6a-tetrahydrofuro[3,2-b]furan-5,2'-oxolane]-2-one has a molecular weight of 214.22 g/mol, XLogP of -0.04, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aR,5R,5'S,6aR)-3-hydroxy-5'-methylspiro[3,3a,6,6a-tetrahydrofuro[3,2-b]furan-5,2'-oxolane]-2-one is sourced from PubChem (CID 42599432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).