CID 5461141

C6H7O6 — CID 5461141

IUPAC—
SMILES[O]C1=C(O)C(=O)[C@@H]([C@H](O)CO)O1
InChIInChI=1S/C6H7O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8,10H,1H2/t2-,5-/m1/s1
InChIKeyLHFJOBMTAJJOTB-DUZGATOHSA-N
MW175.12 g/mol
LogP-1.53
Rot. Bonds2

About CID 5461141

CID 5461141 (PubChem CID 5461141) has the molecular formula C6H7O6 and a molecular weight of 175.12 g/mol.

Molecular Properties

Compound NameCID 5461141
PubChem CID5461141
Molecular FormulaC6H7O6
Molecular Weight175.12 g/mol
Exact Mass175.02
IUPAC Name—
SMILES[O]C1=C(O)C(=O)[C@@H]([C@H](O)CO)O1
InChIInChI=1S/C6H7O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8,10H,1H2/t2-,5-/m1/s1
InChIKeyLHFJOBMTAJJOTB-DUZGATOHSA-N
XLogP-1.53
TPSA106.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.12
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 5461141?
The IUPAC name of CID 5461141 (CID 5461141) is not available.
What is the SMILES notation for CID 5461141?
The canonical SMILES for CID 5461141 is [O]C1=C(O)C(=O)[C@@H]([C@H](O)CO)O1.
What is the InChIKey of CID 5461141?
The InChIKey is LHFJOBMTAJJOTB-DUZGATOHSA-N. The full InChI is InChI=1S/C6H7O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8,10H,1H2/t2-,5-/m1/s1.
What are the key properties of CID 5461141?
CID 5461141 has a molecular weight of 175.12 g/mol, XLogP of -1.53, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 5461141 is sourced from PubChem (CID 5461141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).