[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-(1H-indol-3-ylmethyl)azanium

C22H25N2O3+ — CID 11911678

IUPAC[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-(1H-indol-3-ylmethyl)azanium
SMILESc1ccc(CO[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3[NH2+]Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C22H24N2O3/c1-2-6-15(7-3-1)12-25-20-14-27-21-19(13-26-22(20)21)24-11-16-10-23-18-9-5-4-8-17(16)18/h1-10,19-24H,11-14H2/p+1/t19-,20+,21+,22+/m0/s1
InChIKeyVJOFJZYXRJLHKU-DXBBTUNJSA-O
MW365.45 g/mol
LogP1.98
Rot. Bonds6

About [(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-(1H-indol-3-ylmethyl)azanium

[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-(1H-indol-3-ylmethyl)azanium (PubChem CID 11911678) has the molecular formula C22H25N2O3+ and a molecular weight of 365.45 g/mol. Its IUPAC name is [(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-(1H-indol-3-ylmethyl)azanium.

Molecular Properties

Compound Name[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-(1H-indol-3-ylmethyl)azanium
PubChem CID11911678
Molecular FormulaC22H25N2O3+
Molecular Weight365.45 g/mol
Exact Mass365.19
IUPAC Name[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-(1H-indol-3-ylmethyl)azanium
SMILESc1ccc(CO[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3[NH2+]Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C22H24N2O3/c1-2-6-15(7-3-1)12-25-20-14-27-21-19(13-26-22(20)21)24-11-16-10-23-18-9-5-4-8-17(16)18/h1-10,19-24H,11-14H2/p+1/t19-,20+,21+,22+/m0/s1
InChIKeyVJOFJZYXRJLHKU-DXBBTUNJSA-O
XLogP1.98
TPSA60.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-(1H-indol-3-ylmethyl)azanium with MolForge

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Related Compounds

[(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
(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine
CID 45361682
2-[[(3R,3aR,6S,6aR)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]ethanol
CID 146629320
(3S,3aR,6R,6aS)-N-phenyl-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine
CID 23256240
[(3S,3aR,6S,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-dibenzyl-methylazanium
CID 102210903
(3aR)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 156643609
(3aR,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 14163116
[(3S,3aR,6R,6aR)-3-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] prop-2-enoate
CID 11077127
benzyl 2-amino-3-(1H-indol-3-yl)propanoate;hydrochloride
CID 3084617
benzyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate;hydrochloride
CID 44629900
(2,5-dioxopyrrolidin-1-yl) 2-[[(3R,3aR,6S,6aR)-3-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetate
CID 169281449
2-(1H-indol-3-yl)-N,N-dimethyl-1-phenylmethoxyethanamine
CID 163609227

Frequently Asked Questions

What is the IUPAC name of [(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-(1H-indol-3-ylmethyl)azanium?
The IUPAC name of [(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-(1H-indol-3-ylmethyl)azanium (CID 11911678) is [(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-(1H-indol-3-ylmethyl)azanium.
What is the SMILES notation for [(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-(1H-indol-3-ylmethyl)azanium?
The canonical SMILES for [(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-(1H-indol-3-ylmethyl)azanium is c1ccc(CO[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3[NH2+]Cc2c[nH]c3ccccc23)cc1.
What is the InChIKey of [(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-(1H-indol-3-ylmethyl)azanium?
The InChIKey is VJOFJZYXRJLHKU-DXBBTUNJSA-O. The full InChI is InChI=1S/C22H24N2O3/c1-2-6-15(7-3-1)12-25-20-14-27-21-19(13-26-22(20)21)24-11-16-10-23-18-9-5-4-8-17(16)18/h1-10,19-24H,11-14H2/p+1/t19-,20+,21+,22+/m0/s1.
What are the key properties of [(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-(1H-indol-3-ylmethyl)azanium?
[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-(1H-indol-3-ylmethyl)azanium has a molecular weight of 365.45 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-(1H-indol-3-ylmethyl)azanium is sourced from PubChem (CID 11911678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).