(2R)-2-hydroxypropanoate;(2S)-2-hydroxypropanoate;decakis(1H-imidazole);bis(molybdenum(3+));tetrakis(molybdenum(4+));decakis(oxygen(2-))

C36H50Mo6N20O16 — CID 139172703

IUPAC(2R)-2-hydroxypropanoate;(2S)-2-hydroxypropanoate;decakis(1H-imidazole);bis(molybdenum(3+));tetrakis(molybdenum(4+));decakis(oxygen(2-))
SMILESC[C@@H](O)C(=O)[O-].C[C@H](O)C(=O)[O-].[Mo+3].[Mo+3].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].c1c[nH]cn1.c1c[nH]cn1.c1c[nH]cn1.c1c[nH]cn1.c1c[nH]cn1.c1c[nH]cn1.c1c[nH]cn1.c1c[nH]cn1.c1c[nH]cn1.c1c[nH]cn1
InChIInChI=1S/10C3H4N2.2C3H6O3.6Mo.10O/c10*1-2-5-3-4-1;2*1-2(4)3(5)6;;;;;;;;;;;;;;;;/h10*1-3H,(H,4,5);2*2,4H,1H3,(H,5,6);;;;;;;;;;;;;;;;/q;;;;;;;;;;;;2*+3;4*+4;10*-2/p-2/t;;;;;;;;;;2*2-;;;;;;;;;;;;;;;;/m..........10................/s1
InChIKeyNZGYQVJFYIVKTM-YUHAVXHHSA-L
MW1594.56 g/mol
LogP-0.87
Rot. Bonds2

About (2R)-2-hydroxypropanoate;(2S)-2-hydroxypropanoate;decakis(1H-imidazole);bis(molybdenum(3+));tetrakis(molybdenum(4+));decakis(oxygen(2-))

(2R)-2-hydroxypropanoate;(2S)-2-hydroxypropanoate;decakis(1H-imidazole);bis(molybdenum(3+));tetrakis(molybdenum(4+));decakis(oxygen(2-)) (PubChem CID 139172703) has the molecular formula C36H50Mo6N20O16 and a molecular weight of 1594.56 g/mol. Its IUPAC name is (2R)-2-hydroxypropanoate;(2S)-2-hydroxypropanoate;decakis(1H-imidazole);bis(molybdenum(3+));tetrakis(molybdenum(4+));decakis(oxygen(2-)).

Molecular Properties

Compound Name(2R)-2-hydroxypropanoate;(2S)-2-hydroxypropanoate;decakis(1H-imidazole);bis(molybdenum(3+));tetrakis(molybdenum(4+));decakis(oxygen(2-))
PubChem CID139172703
Molecular FormulaC36H50Mo6N20O16
Molecular Weight1594.56 g/mol
Exact Mass1605.80
IUPAC Name(2R)-2-hydroxypropanoate;(2S)-2-hydroxypropanoate;decakis(1H-imidazole);bis(molybdenum(3+));tetrakis(molybdenum(4+));decakis(oxygen(2-))
SMILESC[C@@H](O)C(=O)[O-].C[C@H](O)C(=O)[O-].[Mo+3].[Mo+3].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].c1c[nH]cn1.c1c[nH]cn1.c1c[nH]cn1.c1c[nH]cn1.c1c[nH]cn1.c1c[nH]cn1.c1c[nH]cn1.c1c[nH]cn1.c1c[nH]cn1.c1c[nH]cn1
InChIInChI=1S/10C3H4N2.2C3H6O3.6Mo.10O/c10*1-2-5-3-4-1;2*1-2(4)3(5)6;;;;;;;;;;;;;;;;/h10*1-3H,(H,4,5);2*2,4H,1H3,(H,5,6);;;;;;;;;;;;;;;;/q;;;;;;;;;;;;2*+3;4*+4;10*-2/p-2/t;;;;;;;;;;2*2-;;;;;;;;;;;;;;;;/m..........10................/s1
InChIKeyNZGYQVJFYIVKTM-YUHAVXHHSA-L
XLogP-0.87
TPSA692.52 Ų
H-Bond Donors12
H-Bond Acceptors16
Rotatable Bonds2
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001594.56
LogP ≤ 5-0.87
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1016

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxypropanoate;(2S)-2-hydroxypropanoate;decakis(1H-imidazole);bis(molybdenum(3+));tetrakis(molybdenum(4+));decakis(oxygen(2-))?
The IUPAC name of (2R)-2-hydroxypropanoate;(2S)-2-hydroxypropanoate;decakis(1H-imidazole);bis(molybdenum(3+));tetrakis(molybdenum(4+));decakis(oxygen(2-)) (CID 139172703) is (2R)-2-hydroxypropanoate;(2S)-2-hydroxypropanoate;decakis(1H-imidazole);bis(molybdenum(3+));tetrakis(molybdenum(4+));decakis(oxygen(2-)).
What is the SMILES notation for (2R)-2-hydroxypropanoate;(2S)-2-hydroxypropanoate;decakis(1H-imidazole);bis(molybdenum(3+));tetrakis(molybdenum(4+));decakis(oxygen(2-))?
The canonical SMILES for (2R)-2-hydroxypropanoate;(2S)-2-hydroxypropanoate;decakis(1H-imidazole);bis(molybdenum(3+));tetrakis(molybdenum(4+));decakis(oxygen(2-)) is C[C@@H](O)C(=O)[O-].C[C@H](O)C(=O)[O-].[Mo+3].[Mo+3].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].c1c[nH]cn1.c1c[nH]cn1.c1c[nH]cn1.c1c[nH]cn1.c1c[nH]cn1.c1c[nH]cn1.c1c[nH]cn1.c1c[nH]cn1.c1c[nH]cn1.c1c[nH]cn1.
What is the InChIKey of (2R)-2-hydroxypropanoate;(2S)-2-hydroxypropanoate;decakis(1H-imidazole);bis(molybdenum(3+));tetrakis(molybdenum(4+));decakis(oxygen(2-))?
The InChIKey is NZGYQVJFYIVKTM-YUHAVXHHSA-L. The full InChI is InChI=1S/10C3H4N2.2C3H6O3.6Mo.10O/c10*1-2-5-3-4-1;2*1-2(4)3(5)6;;;;;;;;;;;;;;;;/h10*1-3H,(H,4,5);2*2,4H,1H3,(H,5,6);;;;;;;;;;;;;;;;/q;;;;;;;;;;;;2*+3;4*+4;10*-2/p-2/t;;;;;;;;;;2*2-;;;;;;;;;;;;;;;;/m..........10................/s1.
What are the key properties of (2R)-2-hydroxypropanoate;(2S)-2-hydroxypropanoate;decakis(1H-imidazole);bis(molybdenum(3+));tetrakis(molybdenum(4+));decakis(oxygen(2-))?
(2R)-2-hydroxypropanoate;(2S)-2-hydroxypropanoate;decakis(1H-imidazole);bis(molybdenum(3+));tetrakis(molybdenum(4+));decakis(oxygen(2-)) has a molecular weight of 1594.56 g/mol, XLogP of -0.87, 2 rotatable bonds, 12 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxypropanoate;(2S)-2-hydroxypropanoate;decakis(1H-imidazole);bis(molybdenum(3+));tetrakis(molybdenum(4+));decakis(oxygen(2-)) is sourced from PubChem (CID 139172703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).