CID 173145054

H8Mo4NaO16 — CID 173145054

IUPAC—
SMILESO=[Mo](=O)(O)O.O=[Mo](=O)(O)O.O=[Mo](=O)(O)O.O=[Mo](=O)(O)O.[Na]
InChIInChI=1S/4Mo.Na.8H2O.8O/h;;;;;8*1H2;;;;;;;;/q4*+2;;;;;;;;;;;;;;;;;/p-8
InChIKeyKBFRMSYYGAHPGY-UHFFFAOYSA-F
MW670.80 g/mol
LogP-5.80
Rot. Bonds

About CID 173145054

CID 173145054 (PubChem CID 173145054) has the molecular formula H8Mo4NaO16 and a molecular weight of 670.80 g/mol.

Molecular Properties

Compound NameCID 173145054
PubChem CID173145054
Molecular FormulaH8Mo4NaO16
Molecular Weight670.80 g/mol
Exact Mass678.59
IUPAC Name—
SMILESO=[Mo](=O)(O)O.O=[Mo](=O)(O)O.O=[Mo](=O)(O)O.O=[Mo](=O)(O)O.[Na]
InChIInChI=1S/4Mo.Na.8H2O.8O/h;;;;;8*1H2;;;;;;;;/q4*+2;;;;;;;;;;;;;;;;;/p-8
InChIKeyKBFRMSYYGAHPGY-UHFFFAOYSA-F
XLogP-5.80
TPSA298.40 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.80
LogP ≤ 5-5.80
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of CID 173145054?
The IUPAC name of CID 173145054 (CID 173145054) is not available.
What is the SMILES notation for CID 173145054?
The canonical SMILES for CID 173145054 is O=[Mo](=O)(O)O.O=[Mo](=O)(O)O.O=[Mo](=O)(O)O.O=[Mo](=O)(O)O.[Na].
What is the InChIKey of CID 173145054?
The InChIKey is KBFRMSYYGAHPGY-UHFFFAOYSA-F. The full InChI is InChI=1S/4Mo.Na.8H2O.8O/h;;;;;8*1H2;;;;;;;;/q4*+2;;;;;;;;;;;;;;;;;/p-8.
What are the key properties of CID 173145054?
CID 173145054 has a molecular weight of 670.80 g/mol, XLogP of -5.80, 0 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173145054 is sourced from PubChem (CID 173145054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).