[(2R)-2-hydroxy-3-[4-[(2R)-2-hydroxy-3-[[(2S)-oxolan-2-yl]methylazaniumyl]propoxy]phenoxy]propyl]-[[(2S)-oxolan-2-yl]methyl]azanium

C22H38N2O6+2 — CID 7127778

IUPAC[(2R)-2-hydroxy-3-[4-[(2R)-2-hydroxy-3-[[(2S)-oxolan-2-yl]methylazaniumyl]propoxy]phenoxy]propyl]-[[(2S)-oxolan-2-yl]methyl]azanium
SMILESO[C@H](C[NH2+]C[C@@H]1CCCO1)COc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCO2)cc1
InChIInChI=1S/C22H36N2O6/c25-17(11-23-13-21-3-1-9-27-21)15-29-19-5-7-20(8-6-19)30-16-18(26)12-24-14-22-4-2-10-28-22/h5-8,17-18,21-26H,1-4,9-16H2/p+2/t17-,18-,21+,22+/m1/s1
InChIKeyCZSCCJSCVPNPNR-UBBRYJJRSA-P
MW426.55 g/mol
LogP-1.35
Rot. Bonds14

About [(2R)-2-hydroxy-3-[4-[(2R)-2-hydroxy-3-[[(2S)-oxolan-2-yl]methylazaniumyl]propoxy]phenoxy]propyl]-[[(2S)-oxolan-2-yl]methyl]azanium

[(2R)-2-hydroxy-3-[4-[(2R)-2-hydroxy-3-[[(2S)-oxolan-2-yl]methylazaniumyl]propoxy]phenoxy]propyl]-[[(2S)-oxolan-2-yl]methyl]azanium (PubChem CID 7127778) has the molecular formula C22H38N2O6+2 and a molecular weight of 426.55 g/mol. Its IUPAC name is [(2R)-2-hydroxy-3-[4-[(2R)-2-hydroxy-3-[[(2S)-oxolan-2-yl]methylazaniumyl]propoxy]phenoxy]propyl]-[[(2S)-oxolan-2-yl]methyl]azanium.

Molecular Properties

Compound Name[(2R)-2-hydroxy-3-[4-[(2R)-2-hydroxy-3-[[(2S)-oxolan-2-yl]methylazaniumyl]propoxy]phenoxy]propyl]-[[(2S)-oxolan-2-yl]methyl]azanium
PubChem CID7127778
Molecular FormulaC22H38N2O6+2
Molecular Weight426.55 g/mol
Exact Mass426.27
IUPAC Name[(2R)-2-hydroxy-3-[4-[(2R)-2-hydroxy-3-[[(2S)-oxolan-2-yl]methylazaniumyl]propoxy]phenoxy]propyl]-[[(2S)-oxolan-2-yl]methyl]azanium
SMILESO[C@H](C[NH2+]C[C@@H]1CCCO1)COc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCO2)cc1
InChIInChI=1S/C22H36N2O6/c25-17(11-23-13-21-3-1-9-27-21)15-29-19-5-7-20(8-6-19)30-16-18(26)12-24-14-22-4-2-10-28-22/h5-8,17-18,21-26H,1-4,9-16H2/p+2/t17-,18-,21+,22+/m1/s1
InChIKeyCZSCCJSCVPNPNR-UBBRYJJRSA-P
XLogP-1.35
TPSA110.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.55
LogP ≤ 5-1.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze [(2R)-2-hydroxy-3-[4-[(2R)-2-hydroxy-3-[[(2S)-oxolan-2-yl]methylazaniumyl]propoxy]phenoxy]propyl]-[[(2S)-oxolan-2-yl]methyl]azanium with MolForge

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Launch Full Analysis

Related Compounds

[(2S)-3-(4-chlorophenoxy)-2-methylpropyl]-[[(2R)-oxolan-2-yl]methyl]azanium
CID 6945380
[(2R)-2-hydroxy-3-(2-methoxy-4-methoxycarbonylphenoxy)propyl]-[[(2S)-oxolan-2-yl]methyl]azanium
CID 8002710
(1S)-1-[4-(oxolan-2-ylmethoxy)phenyl]ethanol
CID 63364123
[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl-[(2R)-2-hydroxy-3-phenoxypropyl]azanium
CID 7352957
[(2R)-3-(2,6-dimethoxyphenoxy)-2-methylpropyl]-[[(2S)-oxolan-2-yl]methyl]azanium
CID 7196503
(2R)-1-[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-phenoxypropan-2-ol
CID 129419580
4-(2-methylpropoxy)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7394154
4-(4-chlorophenoxy)but-2-ynyl-[[(2S)-oxolan-2-yl]methyl]azanium
CID 7379066
1,3-bis[4-(oxiran-2-ylmethoxy)phenoxy]propan-2-ol
CID 59079287
2-(2,3-dihydro-1H-inden-5-yloxy)ethyl-[[(2S)-oxolan-2-yl]methyl]azanium
CID 7379438
[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl-[(2S)-2-hydroxy-3-phenoxypropyl]azanium
CID 7024099
[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-cyclopentylazanium
CID 7473337

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-hydroxy-3-[4-[(2R)-2-hydroxy-3-[[(2S)-oxolan-2-yl]methylazaniumyl]propoxy]phenoxy]propyl]-[[(2S)-oxolan-2-yl]methyl]azanium?
The IUPAC name of [(2R)-2-hydroxy-3-[4-[(2R)-2-hydroxy-3-[[(2S)-oxolan-2-yl]methylazaniumyl]propoxy]phenoxy]propyl]-[[(2S)-oxolan-2-yl]methyl]azanium (CID 7127778) is [(2R)-2-hydroxy-3-[4-[(2R)-2-hydroxy-3-[[(2S)-oxolan-2-yl]methylazaniumyl]propoxy]phenoxy]propyl]-[[(2S)-oxolan-2-yl]methyl]azanium.
What is the SMILES notation for [(2R)-2-hydroxy-3-[4-[(2R)-2-hydroxy-3-[[(2S)-oxolan-2-yl]methylazaniumyl]propoxy]phenoxy]propyl]-[[(2S)-oxolan-2-yl]methyl]azanium?
The canonical SMILES for [(2R)-2-hydroxy-3-[4-[(2R)-2-hydroxy-3-[[(2S)-oxolan-2-yl]methylazaniumyl]propoxy]phenoxy]propyl]-[[(2S)-oxolan-2-yl]methyl]azanium is O[C@H](C[NH2+]C[C@@H]1CCCO1)COc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCO2)cc1.
What is the InChIKey of [(2R)-2-hydroxy-3-[4-[(2R)-2-hydroxy-3-[[(2S)-oxolan-2-yl]methylazaniumyl]propoxy]phenoxy]propyl]-[[(2S)-oxolan-2-yl]methyl]azanium?
The InChIKey is CZSCCJSCVPNPNR-UBBRYJJRSA-P. The full InChI is InChI=1S/C22H36N2O6/c25-17(11-23-13-21-3-1-9-27-21)15-29-19-5-7-20(8-6-19)30-16-18(26)12-24-14-22-4-2-10-28-22/h5-8,17-18,21-26H,1-4,9-16H2/p+2/t17-,18-,21+,22+/m1/s1.
What are the key properties of [(2R)-2-hydroxy-3-[4-[(2R)-2-hydroxy-3-[[(2S)-oxolan-2-yl]methylazaniumyl]propoxy]phenoxy]propyl]-[[(2S)-oxolan-2-yl]methyl]azanium?
[(2R)-2-hydroxy-3-[4-[(2R)-2-hydroxy-3-[[(2S)-oxolan-2-yl]methylazaniumyl]propoxy]phenoxy]propyl]-[[(2S)-oxolan-2-yl]methyl]azanium has a molecular weight of 426.55 g/mol, XLogP of -1.35, 14 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-hydroxy-3-[4-[(2R)-2-hydroxy-3-[[(2S)-oxolan-2-yl]methylazaniumyl]propoxy]phenoxy]propyl]-[[(2S)-oxolan-2-yl]methyl]azanium is sourced from PubChem (CID 7127778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).