CID 24997986

C18H24GaO21 — CID 24997986

IUPAC—
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O.[67Ga]
InChIInChI=1S/3C6H8O7.Ga/c3*7-3(8)1-6(13,5(11)12)2-4(9)10;/h3*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/i;;;1-3
InChIKeyCHHMOONHHZOJKD-MPZFSRPWSA-N
MW643.30 g/mol
LogP-4.13
Rot. Bonds15

About CID 24997986

CID 24997986 (PubChem CID 24997986) has the molecular formula C18H24GaO21 and a molecular weight of 643.30 g/mol.

Molecular Properties

Compound NameCID 24997986
PubChem CID24997986
Molecular FormulaC18H24GaO21
Molecular Weight643.30 g/mol
Exact Mass643.01
IUPAC Name—
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O.[67Ga]
InChIInChI=1S/3C6H8O7.Ga/c3*7-3(8)1-6(13,5(11)12)2-4(9)10;/h3*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/i;;;1-3
InChIKeyCHHMOONHHZOJKD-MPZFSRPWSA-N
XLogP-4.13
TPSA396.39 Ų
H-Bond Donors12
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms40
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500643.30
LogP ≤ 5-4.13
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of CID 24997986?
The IUPAC name of CID 24997986 (CID 24997986) is not available.
What is the SMILES notation for CID 24997986?
The canonical SMILES for CID 24997986 is O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O.[67Ga].
What is the InChIKey of CID 24997986?
The InChIKey is CHHMOONHHZOJKD-MPZFSRPWSA-N. The full InChI is InChI=1S/3C6H8O7.Ga/c3*7-3(8)1-6(13,5(11)12)2-4(9)10;/h3*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/i;;;1-3.
What are the key properties of CID 24997986?
CID 24997986 has a molecular weight of 643.30 g/mol, XLogP of -4.13, 15 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for CID 24997986 is sourced from PubChem (CID 24997986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).