CID 59483057

C8H11O3U- — CID 59483057

IUPAC—
SMILESC=C1C[C@]2(CO)O[CH-][C@H]1[C@@H]2O.[U]
InChIInChI=1S/C8H11O3.U/c1-5-2-8(4-9)7(10)6(5)3-11-8;/h3,6-7,9-10H,1-2,4H2;/q-1;/t6-,7+,8-;/m1./s1
InChIKeyMWQHOVJXTVHXTN-ARIDFIBWSA-N
MW393.20 g/mol
LogP-0.15
Rot. Bonds1

About CID 59483057

CID 59483057 (PubChem CID 59483057) has the molecular formula C8H11O3U- and a molecular weight of 393.20 g/mol.

Molecular Properties

Compound NameCID 59483057
PubChem CID59483057
Molecular FormulaC8H11O3U-
Molecular Weight393.20 g/mol
Exact Mass393.12
IUPAC Name—
SMILESC=C1C[C@]2(CO)O[CH-][C@H]1[C@@H]2O.[U]
InChIInChI=1S/C8H11O3.U/c1-5-2-8(4-9)7(10)6(5)3-11-8;/h3,6-7,9-10H,1-2,4H2;/q-1;/t6-,7+,8-;/m1./s1
InChIKeyMWQHOVJXTVHXTN-ARIDFIBWSA-N
XLogP-0.15
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.20
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59483057?
The IUPAC name of CID 59483057 (CID 59483057) is not available.
What is the SMILES notation for CID 59483057?
The canonical SMILES for CID 59483057 is C=C1C[C@]2(CO)O[CH-][C@H]1[C@@H]2O.[U].
What is the InChIKey of CID 59483057?
The InChIKey is MWQHOVJXTVHXTN-ARIDFIBWSA-N. The full InChI is InChI=1S/C8H11O3.U/c1-5-2-8(4-9)7(10)6(5)3-11-8;/h3,6-7,9-10H,1-2,4H2;/q-1;/t6-,7+,8-;/m1./s1.
What are the key properties of CID 59483057?
CID 59483057 has a molecular weight of 393.20 g/mol, XLogP of -0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59483057 is sourced from PubChem (CID 59483057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).