CID 131877347

C6H12O6Sr — CID 131877347

IUPAC
SMILESCC(O)C(=O)O.CC(O)C(=O)O.[Sr]
InChIInChI=1S/2C3H6O3.Sr/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);
InChIKeyIVSAPIPLJDIPAY-UHFFFAOYSA-N
MW267.78 g/mol
LogP-1.48
Rot. Bonds2

About CID 131877347

CID 131877347 (PubChem CID 131877347) has the molecular formula C6H12O6Sr and a molecular weight of 267.78 g/mol.

Molecular Properties

Compound NameCID 131877347
PubChem CID131877347
Molecular FormulaC6H12O6Sr
Molecular Weight267.78 g/mol
Exact Mass267.97
IUPAC Name
SMILESCC(O)C(=O)O.CC(O)C(=O)O.[Sr]
InChIInChI=1S/2C3H6O3.Sr/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);
InChIKeyIVSAPIPLJDIPAY-UHFFFAOYSA-N
XLogP-1.48
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 5-1.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 131877347?
The IUPAC name of CID 131877347 (CID 131877347) is not available.
What is the SMILES notation for CID 131877347?
The canonical SMILES for CID 131877347 is CC(O)C(=O)O.CC(O)C(=O)O.[Sr].
What is the InChIKey of CID 131877347?
The InChIKey is IVSAPIPLJDIPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H6O3.Sr/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);.
What are the key properties of CID 131877347?
CID 131877347 has a molecular weight of 267.78 g/mol, XLogP of -1.48, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131877347 is sourced from PubChem (CID 131877347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).