alumane;copper;2,3,4,5-tetrahydroxyhexanedioic acid

C6H13AlCuO8 — CID 175292865

IUPACalumane;copper;2,3,4,5-tetrahydroxyhexanedioic acid
SMILESO=C(O)C(O)C(O)C(O)C(O)C(=O)O.[AlH3].[Cu]
InChIInChI=1S/C6H10O8.Al.Cu.3H/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;;;;;/h1-4,7-10H,(H,11,12)(H,13,14);;;;;
InChIKeyQVNMUCPWIDSYSO-UHFFFAOYSA-N
MW303.69 g/mol
LogP-4.59
Rot. Bonds5

About alumane;copper;2,3,4,5-tetrahydroxyhexanedioic acid

alumane;copper;2,3,4,5-tetrahydroxyhexanedioic acid (PubChem CID 175292865) has the molecular formula C6H13AlCuO8 and a molecular weight of 303.69 g/mol. Its IUPAC name is alumane;copper;2,3,4,5-tetrahydroxyhexanedioic acid.

Molecular Properties

Compound Namealumane;copper;2,3,4,5-tetrahydroxyhexanedioic acid
PubChem CID175292865
Molecular FormulaC6H13AlCuO8
Molecular Weight303.69 g/mol
Exact Mass302.97
IUPAC Namealumane;copper;2,3,4,5-tetrahydroxyhexanedioic acid
SMILESO=C(O)C(O)C(O)C(O)C(O)C(=O)O.[AlH3].[Cu]
InChIInChI=1S/C6H10O8.Al.Cu.3H/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;;;;;/h1-4,7-10H,(H,11,12)(H,13,14);;;;;
InChIKeyQVNMUCPWIDSYSO-UHFFFAOYSA-N
XLogP-4.59
TPSA155.52 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.69
LogP ≤ 5-4.59
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze alumane;copper;2,3,4,5-tetrahydroxyhexanedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanedioic acid
CID 6857454
(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid
CID 6857450
azane;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid
CID 90473080
sodium;hydride;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid;zirconium
CID 173362535
sodium;hydride;2,3,4,5-tetrahydroxyhexanedioic acid;zirconium
CID 173362537
sodium;hydride;hydron;2,3,4,5-tetrahydroxyhexanedioic acid
CID 175445177
alumane;2,3-dihydroxybutanedioic acid
CID 173001814
(2S,3S,4R,5S)-6-amino-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
CID 167483909
potassium (2R,3S,4S,5S)-2,3,4,5,6-pentahydroxy-6-oxohexanoate
CID 23674495
(2S,3S,4S,5R)-6-bromo-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
CID 141336053
(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanoic acid
CID 5459874
copper;bis((2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid)
CID 14475284

Frequently Asked Questions

What is the IUPAC name of alumane;copper;2,3,4,5-tetrahydroxyhexanedioic acid?
The IUPAC name of alumane;copper;2,3,4,5-tetrahydroxyhexanedioic acid (CID 175292865) is alumane;copper;2,3,4,5-tetrahydroxyhexanedioic acid.
What is the SMILES notation for alumane;copper;2,3,4,5-tetrahydroxyhexanedioic acid?
The canonical SMILES for alumane;copper;2,3,4,5-tetrahydroxyhexanedioic acid is O=C(O)C(O)C(O)C(O)C(O)C(=O)O.[AlH3].[Cu].
What is the InChIKey of alumane;copper;2,3,4,5-tetrahydroxyhexanedioic acid?
The InChIKey is QVNMUCPWIDSYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O8.Al.Cu.3H/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;;;;;/h1-4,7-10H,(H,11,12)(H,13,14);;;;;.
What are the key properties of alumane;copper;2,3,4,5-tetrahydroxyhexanedioic acid?
alumane;copper;2,3,4,5-tetrahydroxyhexanedioic acid has a molecular weight of 303.69 g/mol, XLogP of -4.59, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;copper;2,3,4,5-tetrahydroxyhexanedioic acid is sourced from PubChem (CID 175292865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).