(2R,3S,3aS,6aR)-3-methoxy-2-[(S)-methoxy(phenyl)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one

C15H18O5 — CID 139189249

IUPAC(2R,3S,3aS,6aR)-3-methoxy-2-[(S)-methoxy(phenyl)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
SMILESCO[C@@H]1[C@H]2OC(=O)C[C@H]2O[C@@H]1[C@@H](OC)c1ccccc1
InChIInChI=1S/C15H18O5/c1-17-12(9-6-4-3-5-7-9)15-14(18-2)13-10(19-15)8-11(16)20-13/h3-7,10,12-15H,8H2,1-2H3/t10-,12+,13+,14-,15-/m1/s1
InChIKeyYTPMJYCPOBHNKO-BGNCJLHMSA-N
MW278.30 g/mol
LogP1.47
Rot. Bonds4

About (2R,3S,3aS,6aR)-3-methoxy-2-[(S)-methoxy(phenyl)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one

(2R,3S,3aS,6aR)-3-methoxy-2-[(S)-methoxy(phenyl)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one (PubChem CID 139189249) has the molecular formula C15H18O5 and a molecular weight of 278.30 g/mol. Its IUPAC name is (2R,3S,3aS,6aR)-3-methoxy-2-[(S)-methoxy(phenyl)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one.

Molecular Properties

Compound Name(2R,3S,3aS,6aR)-3-methoxy-2-[(S)-methoxy(phenyl)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
PubChem CID139189249
Molecular FormulaC15H18O5
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name(2R,3S,3aS,6aR)-3-methoxy-2-[(S)-methoxy(phenyl)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
SMILESCO[C@@H]1[C@H]2OC(=O)C[C@H]2O[C@@H]1[C@@H](OC)c1ccccc1
InChIInChI=1S/C15H18O5/c1-17-12(9-6-4-3-5-7-9)15-14(18-2)13-10(19-15)8-11(16)20-13/h3-7,10,12-15H,8H2,1-2H3/t10-,12+,13+,14-,15-/m1/s1
InChIKeyYTPMJYCPOBHNKO-BGNCJLHMSA-N
XLogP1.47
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R,3S,3aS,6aR)-3-methoxy-2-[(S)-methoxy(phenyl)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,3aS,6aR)-3-methoxy-2-[(S)-methoxy(phenyl)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one?
The IUPAC name of (2R,3S,3aS,6aR)-3-methoxy-2-[(S)-methoxy(phenyl)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one (CID 139189249) is (2R,3S,3aS,6aR)-3-methoxy-2-[(S)-methoxy(phenyl)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one.
What is the SMILES notation for (2R,3S,3aS,6aR)-3-methoxy-2-[(S)-methoxy(phenyl)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one?
The canonical SMILES for (2R,3S,3aS,6aR)-3-methoxy-2-[(S)-methoxy(phenyl)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one is CO[C@@H]1[C@H]2OC(=O)C[C@H]2O[C@@H]1[C@@H](OC)c1ccccc1.
What is the InChIKey of (2R,3S,3aS,6aR)-3-methoxy-2-[(S)-methoxy(phenyl)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one?
The InChIKey is YTPMJYCPOBHNKO-BGNCJLHMSA-N. The full InChI is InChI=1S/C15H18O5/c1-17-12(9-6-4-3-5-7-9)15-14(18-2)13-10(19-15)8-11(16)20-13/h3-7,10,12-15H,8H2,1-2H3/t10-,12+,13+,14-,15-/m1/s1.
What are the key properties of (2R,3S,3aS,6aR)-3-methoxy-2-[(S)-methoxy(phenyl)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one?
(2R,3S,3aS,6aR)-3-methoxy-2-[(S)-methoxy(phenyl)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one has a molecular weight of 278.30 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,3aS,6aR)-3-methoxy-2-[(S)-methoxy(phenyl)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one is sourced from PubChem (CID 139189249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).