(2R)-1-[[(2R)-2-hydroxypropyl]-[(2S)-2-hydroxypropyl]amino]propan-2-olate;(2S)-1-[[(2R)-2-hydroxypropyl]-[(2S)-2-hydroxypropyl]amino]propan-2-olate;bis(ytterbium(3+));tetrabenzoate

C46H60N2O14Yb2 — CID 139042475

IUPAC(2R)-1-[[(2R)-2-hydroxypropyl]-[(2S)-2-hydroxypropyl]amino]propan-2-olate;(2S)-1-[[(2R)-2-hydroxypropyl]-[(2S)-2-hydroxypropyl]amino]propan-2-olate;bis(ytterbium(3+));tetrabenzoate
SMILESC[C@H](O)CN(C[C@@H](C)[O-])C[C@@H](C)O.C[C@H]([O-])CN(C[C@H](C)O)C[C@@H](C)O.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Yb+3].[Yb+3]
InChIInChI=1S/2C9H20NO3.4C7H6O2.2Yb/c2*1-7(11)4-10(5-8(2)12)6-9(3)13;4*8-7(9)6-4-2-1-3-5-6;;/h2*7-9,11-12H,4-6H2,1-3H3;4*1-5H,(H,8,9);;/q2*-1;;;;;2*+3/p-4/t2*7-,8+,9-;;;;;;/m10....../s1
InChIKeyDOBFKDSUCUCPFM-ILNOYMEGSA-J
MW1211.07 g/mol
LogP-2.20
Rot. Bonds16

About (2R)-1-[[(2R)-2-hydroxypropyl]-[(2S)-2-hydroxypropyl]amino]propan-2-olate;(2S)-1-[[(2R)-2-hydroxypropyl]-[(2S)-2-hydroxypropyl]amino]propan-2-olate;bis(ytterbium(3+));tetrabenzoate

(2R)-1-[[(2R)-2-hydroxypropyl]-[(2S)-2-hydroxypropyl]amino]propan-2-olate;(2S)-1-[[(2R)-2-hydroxypropyl]-[(2S)-2-hydroxypropyl]amino]propan-2-olate;bis(ytterbium(3+));tetrabenzoate (PubChem CID 139042475) has the molecular formula C46H60N2O14Yb2 and a molecular weight of 1211.07 g/mol. Its IUPAC name is (2R)-1-[[(2R)-2-hydroxypropyl]-[(2S)-2-hydroxypropyl]amino]propan-2-olate;(2S)-1-[[(2R)-2-hydroxypropyl]-[(2S)-2-hydroxypropyl]amino]propan-2-olate;bis(ytterbium(3+));tetrabenzoate.

Molecular Properties

Compound Name(2R)-1-[[(2R)-2-hydroxypropyl]-[(2S)-2-hydroxypropyl]amino]propan-2-olate;(2S)-1-[[(2R)-2-hydroxypropyl]-[(2S)-2-hydroxypropyl]amino]propan-2-olate;bis(ytterbium(3+));tetrabenzoate
PubChem CID139042475
Molecular FormulaC46H60N2O14Yb2
Molecular Weight1211.07 g/mol
Exact Mass1212.28
IUPAC Name(2R)-1-[[(2R)-2-hydroxypropyl]-[(2S)-2-hydroxypropyl]amino]propan-2-olate;(2S)-1-[[(2R)-2-hydroxypropyl]-[(2S)-2-hydroxypropyl]amino]propan-2-olate;bis(ytterbium(3+));tetrabenzoate
SMILESC[C@H](O)CN(C[C@@H](C)[O-])C[C@@H](C)O.C[C@H]([O-])CN(C[C@H](C)O)C[C@@H](C)O.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Yb+3].[Yb+3]
InChIInChI=1S/2C9H20NO3.4C7H6O2.2Yb/c2*1-7(11)4-10(5-8(2)12)6-9(3)13;4*8-7(9)6-4-2-1-3-5-6;;/h2*7-9,11-12H,4-6H2,1-3H3;4*1-5H,(H,8,9);;/q2*-1;;;;;2*+3/p-4/t2*7-,8+,9-;;;;;;/m10....../s1
InChIKeyDOBFKDSUCUCPFM-ILNOYMEGSA-J
XLogP-2.20
TPSA294.04 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001211.07
LogP ≤ 5-2.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze (2R)-1-[[(2R)-2-hydroxypropyl]-[(2S)-2-hydroxypropyl]amino]propan-2-olate;(2S)-1-[[(2R)-2-hydroxypropyl]-[(2S)-2-hydroxypropyl]amino]propan-2-olate;bis(ytterbium(3+));tetrabenzoate with MolForge

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Related Compounds

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3-methylbutanoate benzoate
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triethyl(2-hydroxypropyl)azanium;benzoate;hydrochloride
CID 20833865
aluminum dibenzoate
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cadmium benzoate
CID 170839001
cerium(3+) tribenzoate
CID 6452877
benzoate tetrahydrate
CID 18510013
cobalt(3+) tribenzoate
CID 20537733

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(2R)-2-hydroxypropyl]-[(2S)-2-hydroxypropyl]amino]propan-2-olate;(2S)-1-[[(2R)-2-hydroxypropyl]-[(2S)-2-hydroxypropyl]amino]propan-2-olate;bis(ytterbium(3+));tetrabenzoate?
The IUPAC name of (2R)-1-[[(2R)-2-hydroxypropyl]-[(2S)-2-hydroxypropyl]amino]propan-2-olate;(2S)-1-[[(2R)-2-hydroxypropyl]-[(2S)-2-hydroxypropyl]amino]propan-2-olate;bis(ytterbium(3+));tetrabenzoate (CID 139042475) is (2R)-1-[[(2R)-2-hydroxypropyl]-[(2S)-2-hydroxypropyl]amino]propan-2-olate;(2S)-1-[[(2R)-2-hydroxypropyl]-[(2S)-2-hydroxypropyl]amino]propan-2-olate;bis(ytterbium(3+));tetrabenzoate.
What is the SMILES notation for (2R)-1-[[(2R)-2-hydroxypropyl]-[(2S)-2-hydroxypropyl]amino]propan-2-olate;(2S)-1-[[(2R)-2-hydroxypropyl]-[(2S)-2-hydroxypropyl]amino]propan-2-olate;bis(ytterbium(3+));tetrabenzoate?
The canonical SMILES for (2R)-1-[[(2R)-2-hydroxypropyl]-[(2S)-2-hydroxypropyl]amino]propan-2-olate;(2S)-1-[[(2R)-2-hydroxypropyl]-[(2S)-2-hydroxypropyl]amino]propan-2-olate;bis(ytterbium(3+));tetrabenzoate is C[C@H](O)CN(C[C@@H](C)[O-])C[C@@H](C)O.C[C@H]([O-])CN(C[C@H](C)O)C[C@@H](C)O.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Yb+3].[Yb+3].
What is the InChIKey of (2R)-1-[[(2R)-2-hydroxypropyl]-[(2S)-2-hydroxypropyl]amino]propan-2-olate;(2S)-1-[[(2R)-2-hydroxypropyl]-[(2S)-2-hydroxypropyl]amino]propan-2-olate;bis(ytterbium(3+));tetrabenzoate?
The InChIKey is DOBFKDSUCUCPFM-ILNOYMEGSA-J. The full InChI is InChI=1S/2C9H20NO3.4C7H6O2.2Yb/c2*1-7(11)4-10(5-8(2)12)6-9(3)13;4*8-7(9)6-4-2-1-3-5-6;;/h2*7-9,11-12H,4-6H2,1-3H3;4*1-5H,(H,8,9);;/q2*-1;;;;;2*+3/p-4/t2*7-,8+,9-;;;;;;/m10....../s1.
What are the key properties of (2R)-1-[[(2R)-2-hydroxypropyl]-[(2S)-2-hydroxypropyl]amino]propan-2-olate;(2S)-1-[[(2R)-2-hydroxypropyl]-[(2S)-2-hydroxypropyl]amino]propan-2-olate;bis(ytterbium(3+));tetrabenzoate?
(2R)-1-[[(2R)-2-hydroxypropyl]-[(2S)-2-hydroxypropyl]amino]propan-2-olate;(2S)-1-[[(2R)-2-hydroxypropyl]-[(2S)-2-hydroxypropyl]amino]propan-2-olate;bis(ytterbium(3+));tetrabenzoate has a molecular weight of 1211.07 g/mol, XLogP of -2.20, 16 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[(2R)-2-hydroxypropyl]-[(2S)-2-hydroxypropyl]amino]propan-2-olate;(2S)-1-[[(2R)-2-hydroxypropyl]-[(2S)-2-hydroxypropyl]amino]propan-2-olate;bis(ytterbium(3+));tetrabenzoate is sourced from PubChem (CID 139042475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).