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

C27H26O5 — CID 11070018

IUPAC(2R,3S,3aS,6aR)-3-phenylmethoxy-2-[(R)-phenyl(phenylmethoxy)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
SMILESO=C1C[C@H]2O[C@H]([C@H](OCc3ccccc3)c3ccccc3)[C@H](OCc3ccccc3)[C@H]2O1
InChIInChI=1S/C27H26O5/c28-23-16-22-25(32-23)26(30-18-20-12-6-2-7-13-20)27(31-22)24(21-14-8-3-9-15-21)29-17-19-10-4-1-5-11-19/h1-15,22,24-27H,16-18H2/t22-,24-,25+,26-,27-/m1/s1
InChIKeyZMHYETBEEMKOPB-UIKHAHSZSA-N
MW430.50 g/mol
LogP4.61
Rot. Bonds8

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

(2R,3S,3aS,6aR)-3-phenylmethoxy-2-[(R)-phenyl(phenylmethoxy)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one (PubChem CID 11070018) has the molecular formula C27H26O5 and a molecular weight of 430.50 g/mol. Its IUPAC name is (2R,3S,3aS,6aR)-3-phenylmethoxy-2-[(R)-phenyl(phenylmethoxy)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one.

Molecular Properties

Compound Name(2R,3S,3aS,6aR)-3-phenylmethoxy-2-[(R)-phenyl(phenylmethoxy)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
PubChem CID11070018
Molecular FormulaC27H26O5
Molecular Weight430.50 g/mol
Exact Mass430.18
IUPAC Name(2R,3S,3aS,6aR)-3-phenylmethoxy-2-[(R)-phenyl(phenylmethoxy)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
SMILESO=C1C[C@H]2O[C@H]([C@H](OCc3ccccc3)c3ccccc3)[C@H](OCc3ccccc3)[C@H]2O1
InChIInChI=1S/C27H26O5/c28-23-16-22-25(32-23)26(30-18-20-12-6-2-7-13-20)27(31-22)24(21-14-8-3-9-15-21)29-17-19-10-4-1-5-11-19/h1-15,22,24-27H,16-18H2/t22-,24-,25+,26-,27-/m1/s1
InChIKeyZMHYETBEEMKOPB-UIKHAHSZSA-N
XLogP4.61
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

(2R,3R,3aS,6aR)-3-phenylmethoxy-2-[(R)-phenyl(phenylmethoxy)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 102030110
(3S,3aS,6aR)-2-[(R)-hydroxy(phenyl)methyl]-3-phenylmethoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 101434850
(3S,3aS,6aR)-2-[(S)-hydroxy(phenyl)methyl]-3-phenylmethoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 101434851
8,9-bis(phenylmethoxy)-2,6-dioxabicyclo[3.3.1]nonan-3-one
CID 162664103
(2R,3S,3aS,6aR)-2-[(S)-hydroxy(phenyl)methyl]-3-methoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 155549237
(4R,5R,6R)-6-[(1R)-1,2-bis(phenylmethoxy)ethyl]-4,5-bis(phenylmethoxy)oxan-2-one
CID 10896942
(1S,5S,6S,7R,8R)-6,8-dimethyl-7-phenylmethoxy-2,9-dioxabicyclo[3.3.1]nonan-3-one
CID 101074774
(2R,3S,3aR,6aR)-2-benzyl-3-hydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 46897991
(3aS,6S,7R,7aS)-6-hydroxy-7-phenylmethoxy-3,3a,5,6,7,7a-hexahydrothiopyrano[3,2-b]furan-2-one
CID 71505779
(1S,5S,7S,8R)-7-phenyl-8-phenylmethoxy-2,6-dioxabicyclo[3.3.1]nonan-3-one
CID 11141881
[(3-hydroxy-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-2-yl)-phenylmethyl] 3-phenylprop-2-enoate
CID 162985465
(3R,3aR,6aR)-2-benzyl-3-phenyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 10402189

Frequently Asked Questions

What is the IUPAC name of (2R,3S,3aS,6aR)-3-phenylmethoxy-2-[(R)-phenyl(phenylmethoxy)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one?
The IUPAC name of (2R,3S,3aS,6aR)-3-phenylmethoxy-2-[(R)-phenyl(phenylmethoxy)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one (CID 11070018) is (2R,3S,3aS,6aR)-3-phenylmethoxy-2-[(R)-phenyl(phenylmethoxy)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-phenylmethoxy-2-[(R)-phenyl(phenylmethoxy)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one?
The canonical SMILES for (2R,3S,3aS,6aR)-3-phenylmethoxy-2-[(R)-phenyl(phenylmethoxy)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one is O=C1C[C@H]2O[C@H]([C@H](OCc3ccccc3)c3ccccc3)[C@H](OCc3ccccc3)[C@H]2O1.
What is the InChIKey of (2R,3S,3aS,6aR)-3-phenylmethoxy-2-[(R)-phenyl(phenylmethoxy)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one?
The InChIKey is ZMHYETBEEMKOPB-UIKHAHSZSA-N. The full InChI is InChI=1S/C27H26O5/c28-23-16-22-25(32-23)26(30-18-20-12-6-2-7-13-20)27(31-22)24(21-14-8-3-9-15-21)29-17-19-10-4-1-5-11-19/h1-15,22,24-27H,16-18H2/t22-,24-,25+,26-,27-/m1/s1.
What are the key properties of (2R,3S,3aS,6aR)-3-phenylmethoxy-2-[(R)-phenyl(phenylmethoxy)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one?
(2R,3S,3aS,6aR)-3-phenylmethoxy-2-[(R)-phenyl(phenylmethoxy)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one has a molecular weight of 430.50 g/mol, XLogP of 4.61, 8 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-phenylmethoxy-2-[(R)-phenyl(phenylmethoxy)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one is sourced from PubChem (CID 11070018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).