(2S,3R,3aR)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,3a-dihydro-2H-furo[3,2-b]furan-5-one

C21H20O5 — CID 10712966

IUPAC(2S,3R,3aR)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,3a-dihydro-2H-furo[3,2-b]furan-5-one
SMILESO=C1C=C2O[C@@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]2O1
InChIInChI=1S/C21H20O5/c22-19-11-17-21(26-19)20(24-13-16-9-5-2-6-10-16)18(25-17)14-23-12-15-7-3-1-4-8-15/h1-11,18,20-21H,12-14H2/t18-,20+,21-/m0/s1
InChIKeyIDOYTPOJYYCHTA-TYPHKJRUSA-N
MW352.39 g/mol
LogP3.00
Rot. Bonds7

About (2S,3R,3aR)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,3a-dihydro-2H-furo[3,2-b]furan-5-one

(2S,3R,3aR)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,3a-dihydro-2H-furo[3,2-b]furan-5-one (PubChem CID 10712966) has the molecular formula C21H20O5 and a molecular weight of 352.39 g/mol. Its IUPAC name is (2S,3R,3aR)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,3a-dihydro-2H-furo[3,2-b]furan-5-one.

Molecular Properties

Compound Name(2S,3R,3aR)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,3a-dihydro-2H-furo[3,2-b]furan-5-one
PubChem CID10712966
Molecular FormulaC21H20O5
Molecular Weight352.39 g/mol
Exact Mass352.13
IUPAC Name(2S,3R,3aR)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,3a-dihydro-2H-furo[3,2-b]furan-5-one
SMILESO=C1C=C2O[C@@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]2O1
InChIInChI=1S/C21H20O5/c22-19-11-17-21(26-19)20(24-13-16-9-5-2-6-10-16)18(25-17)14-23-12-15-7-3-1-4-8-15/h1-11,18,20-21H,12-14H2/t18-,20+,21-/m0/s1
InChIKeyIDOYTPOJYYCHTA-TYPHKJRUSA-N
XLogP3.00
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one
CID 130757032
(5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-one
CID 134832144
3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one
CID 77175213
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one
CID 10686548
(2R,3S,4R)-6-methylidene-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 53391581
(2R,3R,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-6-carbonitrile
CID 132555832
(2R,3R,4S,4aR,10E)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3,4,4a,6,7,8,9-octahydropyrano[3,2-b]oxocine
CID 100979308
(2S,3S,4S,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane-2-carbaldehyde
CID 14039722
(2S,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane-2-carbaldehyde
CID 11743535
(2R,3S,4R)-6-phenyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran
CID 10074401
[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanol
CID 175374479

Frequently Asked Questions

What is the IUPAC name of (2S,3R,3aR)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,3a-dihydro-2H-furo[3,2-b]furan-5-one?
The IUPAC name of (2S,3R,3aR)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,3a-dihydro-2H-furo[3,2-b]furan-5-one (CID 10712966) is (2S,3R,3aR)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,3a-dihydro-2H-furo[3,2-b]furan-5-one.
What is the SMILES notation for (2S,3R,3aR)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,3a-dihydro-2H-furo[3,2-b]furan-5-one?
The canonical SMILES for (2S,3R,3aR)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,3a-dihydro-2H-furo[3,2-b]furan-5-one is O=C1C=C2O[C@@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]2O1.
What is the InChIKey of (2S,3R,3aR)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,3a-dihydro-2H-furo[3,2-b]furan-5-one?
The InChIKey is IDOYTPOJYYCHTA-TYPHKJRUSA-N. The full InChI is InChI=1S/C21H20O5/c22-19-11-17-21(26-19)20(24-13-16-9-5-2-6-10-16)18(25-17)14-23-12-15-7-3-1-4-8-15/h1-11,18,20-21H,12-14H2/t18-,20+,21-/m0/s1.
What are the key properties of (2S,3R,3aR)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,3a-dihydro-2H-furo[3,2-b]furan-5-one?
(2S,3R,3aR)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,3a-dihydro-2H-furo[3,2-b]furan-5-one has a molecular weight of 352.39 g/mol, XLogP of 3.00, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,3aR)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,3a-dihydro-2H-furo[3,2-b]furan-5-one is sourced from PubChem (CID 10712966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).