[(3aR,6aR)-6-[2-(1H-indol-3-yl)acetyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-(1H-indol-3-yl)acetate

C26H24N2O6 — CID 142492744

IUPAC[(3aR,6aR)-6-[2-(1H-indol-3-yl)acetyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-(1H-indol-3-yl)acetate
SMILESO=C(Cc1c[nH]c2ccccc12)OC1CO[C@@H]2C(OC(=O)Cc3c[nH]c4ccccc34)CO[C@H]12
InChIInChI=1S/C26H24N2O6/c29-23(9-15-11-27-19-7-3-1-5-17(15)19)33-21-13-31-26-22(14-32-25(21)26)34-24(30)10-16-12-28-20-8-4-2-6-18(16)20/h1-8,11-12,21-22,25-28H,9-10,13-14H2/t21?,22?,25-,26-/m1/s1
InChIKeyBJFFSJGRPDAFSL-FHCAOFFTSA-N
MW460.49 g/mol
LogP3.06
Rot. Bonds6

About [(3aR,6aR)-6-[2-(1H-indol-3-yl)acetyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-(1H-indol-3-yl)acetate

[(3aR,6aR)-6-[2-(1H-indol-3-yl)acetyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-(1H-indol-3-yl)acetate (PubChem CID 142492744) has the molecular formula C26H24N2O6 and a molecular weight of 460.49 g/mol. Its IUPAC name is [(3aR,6aR)-6-[2-(1H-indol-3-yl)acetyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-(1H-indol-3-yl)acetate.

Molecular Properties

Compound Name[(3aR,6aR)-6-[2-(1H-indol-3-yl)acetyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-(1H-indol-3-yl)acetate
PubChem CID142492744
Molecular FormulaC26H24N2O6
Molecular Weight460.49 g/mol
Exact Mass460.16
IUPAC Name[(3aR,6aR)-6-[2-(1H-indol-3-yl)acetyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-(1H-indol-3-yl)acetate
SMILESO=C(Cc1c[nH]c2ccccc12)OC1CO[C@@H]2C(OC(=O)Cc3c[nH]c4ccccc34)CO[C@H]12
InChIInChI=1S/C26H24N2O6/c29-23(9-15-11-27-19-7-3-1-5-17(15)19)33-21-13-31-26-22(14-32-25(21)26)34-24(30)10-16-12-28-20-8-4-2-6-18(16)20/h1-8,11-12,21-22,25-28H,9-10,13-14H2/t21?,22?,25-,26-/m1/s1
InChIKeyBJFFSJGRPDAFSL-FHCAOFFTSA-N
XLogP3.06
TPSA102.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(3aR,6aR)-6-[2-(1H-indol-3-yl)acetyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-(1H-indol-3-yl)acetate with MolForge

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Related Compounds

[(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl] 2-(1H-indol-3-yl)acetate
CID 18335849
[(3S,4S,5R,6S)-4,5,6-tris[3-(1H-indol-3-yl)propanoyloxy]oxan-3-yl] 3-(1H-indol-3-yl)propanoate
CID 146662821
chloro 2-(1H-indol-3-yl)acetate
CID 174694401
[(4S,5R)-3,4,5-tri(propanoyloxy)oxan-2-yl] 3-(1H-indol-3-yl)propanoate
CID 163893061
[(2S,3R,4R,5R)-3,4,5-tri(propanoyloxy)oxan-2-yl] 3-(1H-indol-3-yl)propanoate
CID 146662879
(3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[2-(1H-indol-3-yl)acetyl]oxyoxane-2-carboxylic acid
CID 91044078
prop-2-enyl 2-(1H-indol-3-yl)acetate
CID 14701449
[2-(1H-indol-3-yl)acetyl] butanoate
CID 175230662
2-[(2S,3R,4S,5R)-3,4,5-tris[3-(1H-indol-3-yl)propanoyloxy]oxan-2-yl]oxybenzoic acid
CID 156653715
(2-fluorophenyl)methyl 2-(1H-indol-3-yl)acetate
CID 7665649
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633
N'-[2-(4-fluorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide
CID 26932809

Frequently Asked Questions

What is the IUPAC name of [(3aR,6aR)-6-[2-(1H-indol-3-yl)acetyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-(1H-indol-3-yl)acetate?
The IUPAC name of [(3aR,6aR)-6-[2-(1H-indol-3-yl)acetyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-(1H-indol-3-yl)acetate (CID 142492744) is [(3aR,6aR)-6-[2-(1H-indol-3-yl)acetyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-(1H-indol-3-yl)acetate.
What is the SMILES notation for [(3aR,6aR)-6-[2-(1H-indol-3-yl)acetyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-(1H-indol-3-yl)acetate?
The canonical SMILES for [(3aR,6aR)-6-[2-(1H-indol-3-yl)acetyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-(1H-indol-3-yl)acetate is O=C(Cc1c[nH]c2ccccc12)OC1CO[C@@H]2C(OC(=O)Cc3c[nH]c4ccccc34)CO[C@H]12.
What is the InChIKey of [(3aR,6aR)-6-[2-(1H-indol-3-yl)acetyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-(1H-indol-3-yl)acetate?
The InChIKey is BJFFSJGRPDAFSL-FHCAOFFTSA-N. The full InChI is InChI=1S/C26H24N2O6/c29-23(9-15-11-27-19-7-3-1-5-17(15)19)33-21-13-31-26-22(14-32-25(21)26)34-24(30)10-16-12-28-20-8-4-2-6-18(16)20/h1-8,11-12,21-22,25-28H,9-10,13-14H2/t21?,22?,25-,26-/m1/s1.
What are the key properties of [(3aR,6aR)-6-[2-(1H-indol-3-yl)acetyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-(1H-indol-3-yl)acetate?
[(3aR,6aR)-6-[2-(1H-indol-3-yl)acetyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-(1H-indol-3-yl)acetate has a molecular weight of 460.49 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aR)-6-[2-(1H-indol-3-yl)acetyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-(1H-indol-3-yl)acetate is sourced from PubChem (CID 142492744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).