CID 58427780

C9H24Al2O10 — CID 58427780

IUPAC—
SMILESCOCC1O[C@H](OC)C(O[Al])[C@H](OC)[C@@H]1O[Al].O.O.O.O
InChIInChI=1S/C9H16O6.2Al.4H2O/c1-12-4-5-6(10)8(13-2)7(11)9(14-3)15-5;;;;;;/h5-9H,4H2,1-3H3;;;4*1H2/q-2;2*+1;;;;/t5?,6-,7?,8-,9+;;;;;;/m1....../s1
InChIKeyADDQIQMRXDPJOG-BZWZSFCYSA-N
MW346.25 g/mol
LogP-4.34
Rot. Bonds6

About CID 58427780

CID 58427780 (PubChem CID 58427780) has the molecular formula C9H24Al2O10 and a molecular weight of 346.25 g/mol.

Molecular Properties

Compound NameCID 58427780
PubChem CID58427780
Molecular FormulaC9H24Al2O10
Molecular Weight346.25 g/mol
Exact Mass346.10
IUPAC Name—
SMILESCOCC1O[C@H](OC)C(O[Al])[C@H](OC)[C@@H]1O[Al].O.O.O.O
InChIInChI=1S/C9H16O6.2Al.4H2O/c1-12-4-5-6(10)8(13-2)7(11)9(14-3)15-5;;;;;;/h5-9H,4H2,1-3H3;;;4*1H2/q-2;2*+1;;;;/t5?,6-,7?,8-,9+;;;;;;/m1....../s1
InChIKeyADDQIQMRXDPJOG-BZWZSFCYSA-N
XLogP-4.34
TPSA181.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.25
LogP ≤ 5-4.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R,4S,5S,6R)-2,3,4,5-tetramethoxy-6-(methoxymethyl)oxane
CID 12900878
(2S,3R,4R,5R,6S)-2,3,4-trimethoxy-6-(methoxymethyl)-5-[(2S,3R,4S,5R,6S)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane
CID 124798414
(2S,3R,4R,5R,6S)-2,3,4-trimethoxy-6-(methoxymethyl)-5-[(2S,3R,4S,5S,6S)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane
CID 124798413
3,4,5-trimethoxy-2-(methoxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane
CID 91701485
(2R,4S,5R)-2,3,4-trimethoxy-6-(methoxymethyl)-5-methyloxane
CID 176646378
2,3-dimethoxy-6-(methoxymethyl)-5-methyloxan-4-ol
CID 76704011
[(2S,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-yl] acetate
CID 14447784
(2R,3R,4S,5R,6R)-3,5-dimethoxy-2-(methoxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane
CID 24744907
(3R,4R,5S,6R)-2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-amine
CID 24804009
[(2R,3R,4R,5R)-4,5-dimethoxy-2-(methoxymethyl)-6-trimethylsilyloxyoxan-3-yl]oxy-trimethylsilane
CID 22214938
2,4,5-trimethoxy-6-(methoxymethyl)-N,N-dimethyloxan-3-amine
CID 568194
(2S,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)-3-phenylmethoxyoxane
CID 70289541

Frequently Asked Questions

What is the IUPAC name of CID 58427780?
The IUPAC name of CID 58427780 (CID 58427780) is not available.
What is the SMILES notation for CID 58427780?
The canonical SMILES for CID 58427780 is COCC1O[C@H](OC)C(O[Al])[C@H](OC)[C@@H]1O[Al].O.O.O.O.
What is the InChIKey of CID 58427780?
The InChIKey is ADDQIQMRXDPJOG-BZWZSFCYSA-N. The full InChI is InChI=1S/C9H16O6.2Al.4H2O/c1-12-4-5-6(10)8(13-2)7(11)9(14-3)15-5;;;;;;/h5-9H,4H2,1-3H3;;;4*1H2/q-2;2*+1;;;;/t5?,6-,7?,8-,9+;;;;;;/m1....../s1.
What are the key properties of CID 58427780?
CID 58427780 has a molecular weight of 346.25 g/mol, XLogP of -4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58427780 is sourced from PubChem (CID 58427780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).