CID 175156691

C6H16Mo2N2O4S2 — CID 175156691

IUPAC—
SMILESC[C@H](N)C(=O)O.C[C@H](N)C(=O)O.SS.[Mo].[Mo]
InChIInChI=1S/2C3H7NO2.2Mo.H2S2/c2*1-2(4)3(5)6;;;1-2/h2*2H,4H2,1H3,(H,5,6);;;1-2H/t2*2-;;;/m00.../s1
InChIKeyOPTIKNRVXCYGDD-PXYKVGKMSA-N
MW436.22 g/mol
LogP-0.41
Rot. Bonds2

About CID 175156691

CID 175156691 (PubChem CID 175156691) has the molecular formula C6H16Mo2N2O4S2 and a molecular weight of 436.22 g/mol.

Molecular Properties

Compound NameCID 175156691
PubChem CID175156691
Molecular FormulaC6H16Mo2N2O4S2
Molecular Weight436.22 g/mol
Exact Mass439.87
IUPAC Name—
SMILESC[C@H](N)C(=O)O.C[C@H](N)C(=O)O.SS.[Mo].[Mo]
InChIInChI=1S/2C3H7NO2.2Mo.H2S2/c2*1-2(4)3(5)6;;;1-2/h2*2H,4H2,1H3,(H,5,6);;;1-2H/t2*2-;;;/m00.../s1
InChIKeyOPTIKNRVXCYGDD-PXYKVGKMSA-N
XLogP-0.41
TPSA126.64 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.22
LogP ≤ 5-0.41
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

calcium;(2S)-2-aminopropanoic acid;dichloride
CID 173075157
(2S)-2-aminopropanoic acid
CID 18446182
(2S)-2-aminopropanoic acid
CID 5950
(2R)-2-aminopropanoic acid
CID 18611140
calcium;(2S)-2-aminopropanoic acid;hydride;hydrochloride
CID 173075158
calcium;2-aminopropanoic acid;azane;hydride
CID 173017649
CID 86589108
CID 86589108
(2R)-2-aminopropanoic acid;phosphane
CID 157319334
tris(2-aminopropanoic acid);cobalt
CID 50909705
(2S)-2-aminopropanoic acid;polane
CID 173022618
potassium;2-aminopropanoic acid;hydride
CID 173162937
acetic acid;(2S)-2-aminopropanoic acid
CID 87112640

Frequently Asked Questions

What is the IUPAC name of CID 175156691?
The IUPAC name of CID 175156691 (CID 175156691) is not available.
What is the SMILES notation for CID 175156691?
The canonical SMILES for CID 175156691 is C[C@H](N)C(=O)O.C[C@H](N)C(=O)O.SS.[Mo].[Mo].
What is the InChIKey of CID 175156691?
The InChIKey is OPTIKNRVXCYGDD-PXYKVGKMSA-N. The full InChI is InChI=1S/2C3H7NO2.2Mo.H2S2/c2*1-2(4)3(5)6;;;1-2/h2*2H,4H2,1H3,(H,5,6);;;1-2H/t2*2-;;;/m00.../s1.
What are the key properties of CID 175156691?
CID 175156691 has a molecular weight of 436.22 g/mol, XLogP of -0.41, 2 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175156691 is sourced from PubChem (CID 175156691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).