bis(2-[6-(carboxymethyl)-2-pyridinyl]acetic acid);heptylazanide;hexylazanide;bis(hydroxy(oxo)vanadium);bis(2-[6-(2-hydroxyprop-2-enyl)-2-pyridinyl]acetic acid);bis(oxovanadium(2+))

C77H132N10O20V4-2 — CID 158427549

IUPACbis(2-[6-(carboxymethyl)-2-pyridinyl]acetic acid);heptylazanide;hexylazanide;bis(hydroxy(oxo)vanadium);bis(2-[6-(2-hydroxyprop-2-enyl)-2-pyridinyl]acetic acid);bis(oxovanadium(2+))
SMILESC=C(O)Cc1cccc(CC(=O)O)n1.C=C(O)Cc1cccc(CC(=O)O)n1.CCCCCCC[NH-].CCCCCCC[NH-].CCCCCCC[NH-].CCCCCC[NH-].CCCCCC[NH-].CCCCCC[NH-].O=C(O)Cc1cccc(CC(=O)O)n1.O=C(O)Cc1cccc(CC(=O)O)n1.O=[V+2].O=[V+2].O=[V]O.O=[V]O
InChIInChI=1S/2C10H11NO3.2C9H9NO4.3C7H16N.3C6H14N.2H2O.4O.4V/c2*1-7(12)5-8-3-2-4-9(11-8)6-10(13)14;2*11-8(12)4-6-2-1-3-7(10-6)5-9(13)14;3*1-2-3-4-5-6-7-8;3*1-2-3-4-5-6-7;;;;;;;;;;/h2*2-4,12H,1,5-6H2,(H,13,14);2*1-3H,4-5H2,(H,11,12)(H,13,14);3*8H,2-7H2,1H3;3*7H,2-6H2,1H3;2*1H2;;;;;;;;/q;;;;6*-1;;;;;;;2*+1;2*+2/p-2
InChIKeyUZZGIVWMKDHZKZ-UHFFFAOYSA-L
MW1721.73 g/mol
LogP18.60
Rot. Bonds43

About bis(2-[6-(carboxymethyl)-2-pyridinyl]acetic acid);heptylazanide;hexylazanide;bis(hydroxy(oxo)vanadium);bis(2-[6-(2-hydroxyprop-2-enyl)-2-pyridinyl]acetic acid);bis(oxovanadium(2+))

bis(2-[6-(carboxymethyl)-2-pyridinyl]acetic acid);heptylazanide;hexylazanide;bis(hydroxy(oxo)vanadium);bis(2-[6-(2-hydroxyprop-2-enyl)-2-pyridinyl]acetic acid);bis(oxovanadium(2+)) (PubChem CID 158427549) has the molecular formula C77H132N10O20V4-2 and a molecular weight of 1721.73 g/mol. Its IUPAC name is bis(2-[6-(carboxymethyl)-2-pyridinyl]acetic acid);heptylazanide;hexylazanide;bis(hydroxy(oxo)vanadium);bis(2-[6-(2-hydroxyprop-2-enyl)-2-pyridinyl]acetic acid);bis(oxovanadium(2+)).

Molecular Properties

Compound Namebis(2-[6-(carboxymethyl)-2-pyridinyl]acetic acid);heptylazanide;hexylazanide;bis(hydroxy(oxo)vanadium);bis(2-[6-(2-hydroxyprop-2-enyl)-2-pyridinyl]acetic acid);bis(oxovanadium(2+))
PubChem CID158427549
Molecular FormulaC77H132N10O20V4-2
Molecular Weight1721.73 g/mol
Exact Mass1720.74
IUPAC Namebis(2-[6-(carboxymethyl)-2-pyridinyl]acetic acid);heptylazanide;hexylazanide;bis(hydroxy(oxo)vanadium);bis(2-[6-(2-hydroxyprop-2-enyl)-2-pyridinyl]acetic acid);bis(oxovanadium(2+))
SMILESC=C(O)Cc1cccc(CC(=O)O)n1.C=C(O)Cc1cccc(CC(=O)O)n1.CCCCCCC[NH-].CCCCCCC[NH-].CCCCCCC[NH-].CCCCCC[NH-].CCCCCC[NH-].CCCCCC[NH-].O=C(O)Cc1cccc(CC(=O)O)n1.O=C(O)Cc1cccc(CC(=O)O)n1.O=[V+2].O=[V+2].O=[V]O.O=[V]O
InChIInChI=1S/2C10H11NO3.2C9H9NO4.3C7H16N.3C6H14N.2H2O.4O.4V/c2*1-7(12)5-8-3-2-4-9(11-8)6-10(13)14;2*11-8(12)4-6-2-1-3-7(10-6)5-9(13)14;3*1-2-3-4-5-6-7-8;3*1-2-3-4-5-6-7;;;;;;;;;;/h2*2-4,12H,1,5-6H2,(H,13,14);2*1-3H,4-5H2,(H,11,12)(H,13,14);3*8H,2-7H2,1H3;3*7H,2-6H2,1H3;2*1H2;;;;;;;;/q;;;;6*-1;;;;;;;2*+1;2*+2/p-2
InChIKeyUZZGIVWMKDHZKZ-UHFFFAOYSA-L
XLogP18.60
TPSA567.36 Ų
H-Bond Donors10
H-Bond Acceptors16
Rotatable Bonds43
Heavy Atoms111
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001721.73
LogP ≤ 518.60
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[6-(carboxymethyl)-2-pyridinyl]acetic acid;hexylazanide;oxovanadium(2+)
CID 153490401
2-[6-(carboxymethyl)-2-pyridinyl]acetic acid;hydroxy(oxo)vanadium;propylazanide
CID 153490422
2-[6-(carboxymethyl)-2-pyridinyl]acetic acid;oxovanadium(2+);propylazanide
CID 153490406
2-[6-(fluoromethyl)-2-pyridinyl]acetic acid
CID 84765522
CID 131847838
CID 131847838
2,6-didodecylpyridine
CID 90943274
2-amino-3-decylbenzoic acid
CID 118902812
2-(2-fluoro-3-pentylphenyl)acetic acid
CID 78325101
2,6-dipentylpyridine
CID 58097448
carbonic acid;1,2-dihexylbenzene
CID 174444225
carbonic acid;1,2-dioctylbenzene
CID 174715227
heptanoic acid;methane;phenylmethanamine
CID 158877001

Frequently Asked Questions

What is the IUPAC name of bis(2-[6-(carboxymethyl)-2-pyridinyl]acetic acid);heptylazanide;hexylazanide;bis(hydroxy(oxo)vanadium);bis(2-[6-(2-hydroxyprop-2-enyl)-2-pyridinyl]acetic acid);bis(oxovanadium(2+))?
The IUPAC name of bis(2-[6-(carboxymethyl)-2-pyridinyl]acetic acid);heptylazanide;hexylazanide;bis(hydroxy(oxo)vanadium);bis(2-[6-(2-hydroxyprop-2-enyl)-2-pyridinyl]acetic acid);bis(oxovanadium(2+)) (CID 158427549) is bis(2-[6-(carboxymethyl)-2-pyridinyl]acetic acid);heptylazanide;hexylazanide;bis(hydroxy(oxo)vanadium);bis(2-[6-(2-hydroxyprop-2-enyl)-2-pyridinyl]acetic acid);bis(oxovanadium(2+)).
What is the SMILES notation for bis(2-[6-(carboxymethyl)-2-pyridinyl]acetic acid);heptylazanide;hexylazanide;bis(hydroxy(oxo)vanadium);bis(2-[6-(2-hydroxyprop-2-enyl)-2-pyridinyl]acetic acid);bis(oxovanadium(2+))?
The canonical SMILES for bis(2-[6-(carboxymethyl)-2-pyridinyl]acetic acid);heptylazanide;hexylazanide;bis(hydroxy(oxo)vanadium);bis(2-[6-(2-hydroxyprop-2-enyl)-2-pyridinyl]acetic acid);bis(oxovanadium(2+)) is C=C(O)Cc1cccc(CC(=O)O)n1.C=C(O)Cc1cccc(CC(=O)O)n1.CCCCCCC[NH-].CCCCCCC[NH-].CCCCCCC[NH-].CCCCCC[NH-].CCCCCC[NH-].CCCCCC[NH-].O=C(O)Cc1cccc(CC(=O)O)n1.O=C(O)Cc1cccc(CC(=O)O)n1.O=[V+2].O=[V+2].O=[V]O.O=[V]O.
What is the InChIKey of bis(2-[6-(carboxymethyl)-2-pyridinyl]acetic acid);heptylazanide;hexylazanide;bis(hydroxy(oxo)vanadium);bis(2-[6-(2-hydroxyprop-2-enyl)-2-pyridinyl]acetic acid);bis(oxovanadium(2+))?
The InChIKey is UZZGIVWMKDHZKZ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H11NO3.2C9H9NO4.3C7H16N.3C6H14N.2H2O.4O.4V/c2*1-7(12)5-8-3-2-4-9(11-8)6-10(13)14;2*11-8(12)4-6-2-1-3-7(10-6)5-9(13)14;3*1-2-3-4-5-6-7-8;3*1-2-3-4-5-6-7;;;;;;;;;;/h2*2-4,12H,1,5-6H2,(H,13,14);2*1-3H,4-5H2,(H,11,12)(H,13,14);3*8H,2-7H2,1H3;3*7H,2-6H2,1H3;2*1H2;;;;;;;;/q;;;;6*-1;;;;;;;2*+1;2*+2/p-2.
What are the key properties of bis(2-[6-(carboxymethyl)-2-pyridinyl]acetic acid);heptylazanide;hexylazanide;bis(hydroxy(oxo)vanadium);bis(2-[6-(2-hydroxyprop-2-enyl)-2-pyridinyl]acetic acid);bis(oxovanadium(2+))?
bis(2-[6-(carboxymethyl)-2-pyridinyl]acetic acid);heptylazanide;hexylazanide;bis(hydroxy(oxo)vanadium);bis(2-[6-(2-hydroxyprop-2-enyl)-2-pyridinyl]acetic acid);bis(oxovanadium(2+)) has a molecular weight of 1721.73 g/mol, XLogP of 18.60, 43 rotatable bonds, 10 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[6-(carboxymethyl)-2-pyridinyl]acetic acid);heptylazanide;hexylazanide;bis(hydroxy(oxo)vanadium);bis(2-[6-(2-hydroxyprop-2-enyl)-2-pyridinyl]acetic acid);bis(oxovanadium(2+)) is sourced from PubChem (CID 158427549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).