(3R,3aR,6R,6aR)-6-[bis(4-methoxyphenyl)-phenylmethoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol

C27H28O6 — CID 176862335

IUPAC(3R,3aR,6R,6aR)-6-[bis(4-methoxyphenyl)-phenylmethoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
SMILESCOc1ccc(C(O[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3O)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H28O6/c1-29-21-12-8-19(9-13-21)27(18-6-4-3-5-7-18,20-10-14-22(30-2)15-11-20)33-24-17-32-25-23(28)16-31-26(24)25/h3-15,23-26,28H,16-17H2,1-2H3/t23-,24-,25-,26-/m1/s1
InChIKeyXZNOZCBVQKQLSZ-VEYUFSJPSA-N
MW448.52 g/mol
LogP3.54
Rot. Bonds7

About (3R,3aR,6R,6aR)-6-[bis(4-methoxyphenyl)-phenylmethoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol

(3R,3aR,6R,6aR)-6-[bis(4-methoxyphenyl)-phenylmethoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol (PubChem CID 176862335) has the molecular formula C27H28O6 and a molecular weight of 448.52 g/mol. Its IUPAC name is (3R,3aR,6R,6aR)-6-[bis(4-methoxyphenyl)-phenylmethoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol.

Molecular Properties

Compound Name(3R,3aR,6R,6aR)-6-[bis(4-methoxyphenyl)-phenylmethoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
PubChem CID176862335
Molecular FormulaC27H28O6
Molecular Weight448.52 g/mol
Exact Mass448.19
IUPAC Name(3R,3aR,6R,6aR)-6-[bis(4-methoxyphenyl)-phenylmethoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
SMILESCOc1ccc(C(O[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3O)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H28O6/c1-29-21-12-8-19(9-13-21)27(18-6-4-3-5-7-18,20-10-14-22(30-2)15-11-20)33-24-17-32-25-23(28)16-31-26(24)25/h3-15,23-26,28H,16-17H2,1-2H3/t23-,24-,25-,26-/m1/s1
InChIKeyXZNOZCBVQKQLSZ-VEYUFSJPSA-N
XLogP3.54
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze (3R,3aR,6R,6aR)-6-[bis(4-methoxyphenyl)-phenylmethoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol with MolForge

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Related Compounds

(2R,3R,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-fluorooxolan-3-ol
CID 173330090
(2S)-2-[1-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl]oxirane
CID 177315684
tert-butyl (3S,4R)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-4-hydroxypyrrolidine-1-carboxylate
CID 102153212
4-[[3-acetyloxy-4-[bis(4-methoxyphenyl)-phenylmethoxy]oxolan-2-yl]methoxy]-4-oxobutanoic acid
CID 59114129
(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxirane
CID 71608137
(3R,3aR,6S,6aR)-6-phenoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 22808602
6-[bis(4-methoxyphenyl)-phenylmethoxy]-2-methyl-4,5,6,7-tetrahydro-4,7-epoxyisoindole-1,3,5-triol
CID 90975128
[4-[bis(4-methoxyphenyl)-phenylmethoxy]-1-methylpyrrolidin-3-yl]methanol
CID 59408053
N-[1-[(2S,3R,4R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-3-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 98067194
2,2,2-trifluoroethyl 1-[(2R,3S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-3-hydroxyoxolan-2-yl]-2,4-dioxopyrimidine-5-carboxylate
CID 171500256
(1R,2R,5R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3,6-dioxabicyclo[3.1.0]hexane
CID 22849380
[(2R,3R,4S)-2-(4-acetamido-2-oxopyrimidin-1-yl)-4-[bis(4-methoxyphenyl)-phenylmethoxy]oxolan-3-yl] benzoate
CID 163296258

Frequently Asked Questions

What is the IUPAC name of (3R,3aR,6R,6aR)-6-[bis(4-methoxyphenyl)-phenylmethoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?
The IUPAC name of (3R,3aR,6R,6aR)-6-[bis(4-methoxyphenyl)-phenylmethoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol (CID 176862335) is (3R,3aR,6R,6aR)-6-[bis(4-methoxyphenyl)-phenylmethoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol.
What is the SMILES notation for (3R,3aR,6R,6aR)-6-[bis(4-methoxyphenyl)-phenylmethoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?
The canonical SMILES for (3R,3aR,6R,6aR)-6-[bis(4-methoxyphenyl)-phenylmethoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol is COc1ccc(C(O[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3O)(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of (3R,3aR,6R,6aR)-6-[bis(4-methoxyphenyl)-phenylmethoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?
The InChIKey is XZNOZCBVQKQLSZ-VEYUFSJPSA-N. The full InChI is InChI=1S/C27H28O6/c1-29-21-12-8-19(9-13-21)27(18-6-4-3-5-7-18,20-10-14-22(30-2)15-11-20)33-24-17-32-25-23(28)16-31-26(24)25/h3-15,23-26,28H,16-17H2,1-2H3/t23-,24-,25-,26-/m1/s1.
What are the key properties of (3R,3aR,6R,6aR)-6-[bis(4-methoxyphenyl)-phenylmethoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?
(3R,3aR,6R,6aR)-6-[bis(4-methoxyphenyl)-phenylmethoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol has a molecular weight of 448.52 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aR,6R,6aR)-6-[bis(4-methoxyphenyl)-phenylmethoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol is sourced from PubChem (CID 176862335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).