gold;propane-1,2,3-triol

C3H8AuO3 — CID 87239797

IUPACgold;propane-1,2,3-triol
SMILESOCC(O)CO.[Au]
InChIInChI=1S/C3H8O3.Au/c4-1-3(6)2-5;/h3-6H,1-2H2;
InChIKeyVWQSQUGKDAENEM-UHFFFAOYSA-N
MW289.06 g/mol
LogP-1.67
Rot. Bonds2

About gold;propane-1,2,3-triol

gold;propane-1,2,3-triol (PubChem CID 87239797) has the molecular formula C3H8AuO3 and a molecular weight of 289.06 g/mol. Its IUPAC name is gold;propane-1,2,3-triol.

Molecular Properties

Compound Namegold;propane-1,2,3-triol
PubChem CID87239797
Molecular FormulaC3H8AuO3
Molecular Weight289.06 g/mol
Exact Mass289.01
IUPAC Namegold;propane-1,2,3-triol
SMILESOCC(O)CO.[Au]
InChIInChI=1S/C3H8O3.Au/c4-1-3(6)2-5;/h3-6H,1-2H2;
InChIKeyVWQSQUGKDAENEM-UHFFFAOYSA-N
XLogP-1.67
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.06
LogP ≤ 5-1.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of gold;propane-1,2,3-triol?
The IUPAC name of gold;propane-1,2,3-triol (CID 87239797) is gold;propane-1,2,3-triol.
What is the SMILES notation for gold;propane-1,2,3-triol?
The canonical SMILES for gold;propane-1,2,3-triol is OCC(O)CO.[Au].
What is the InChIKey of gold;propane-1,2,3-triol?
The InChIKey is VWQSQUGKDAENEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O3.Au/c4-1-3(6)2-5;/h3-6H,1-2H2;.
What are the key properties of gold;propane-1,2,3-triol?
gold;propane-1,2,3-triol has a molecular weight of 289.06 g/mol, XLogP of -1.67, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for gold;propane-1,2,3-triol is sourced from PubChem (CID 87239797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).