copper;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;diacetate

C10H20CuO10 — CID 159153251

IUPACcopper;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO.[Cu+2]
InChIInChI=1S/C6H14O6.2C2H4O2.Cu/c7-1-3(9)5(11)6(12)4(10)2-8;2*1-2(3)4;/h3-12H,1-2H2;2*1H3,(H,3,4);/q;;;+2/p-2/t3-,4+,5-,6-;;;/m1.../s1
InChIKeyKJONJABYKFXFQE-AZAVZNNYSA-L
MW363.81 g/mol
LogP-6.08
Rot. Bonds5

About copper;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;diacetate

copper;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;diacetate (PubChem CID 159153251) has the molecular formula C10H20CuO10 and a molecular weight of 363.81 g/mol. Its IUPAC name is copper;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;diacetate.

Molecular Properties

Compound Namecopper;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;diacetate
PubChem CID159153251
Molecular FormulaC10H20CuO10
Molecular Weight363.81 g/mol
Exact Mass363.04
IUPAC Namecopper;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO.[Cu+2]
InChIInChI=1S/C6H14O6.2C2H4O2.Cu/c7-1-3(9)5(11)6(12)4(10)2-8;2*1-2(3)4;/h3-12H,1-2H2;2*1H3,(H,3,4);/q;;;+2/p-2/t3-,4+,5-,6-;;;/m1.../s1
InChIKeyKJONJABYKFXFQE-AZAVZNNYSA-L
XLogP-6.08
TPSA201.64 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.81
LogP ≤ 5-6.08
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze copper;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;diacetate with MolForge

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Related Compounds

acetic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 155668282
azanium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;acetate
CID 87881903
sodium;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;hydrogen carbonate
CID 86586928
calcium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;diacetate
CID 163677302
(3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one;zirconium(4+);tetraacetate
CID 22810842
(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 5460054
(3R,4S,5R)-3,4,5,6-tetrahydroxyhexanoate
CID 52940108
(3S,4R,5S,6S)-3,4,5,6,7-pentahydroxyheptan-2-one
CID 122415477
hexane-1,2,3,4,5,6-hexol;methanol
CID 174767977
(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 135394797
(2R,5S)-hexane-1,2,3,4,5,6-hexol
CID 88909362
(2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 87912891

Frequently Asked Questions

What is the IUPAC name of copper;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;diacetate?
The IUPAC name of copper;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;diacetate (CID 159153251) is copper;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;diacetate.
What is the SMILES notation for copper;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;diacetate?
The canonical SMILES for copper;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;diacetate is CC(=O)[O-].CC(=O)[O-].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO.[Cu+2].
What is the InChIKey of copper;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;diacetate?
The InChIKey is KJONJABYKFXFQE-AZAVZNNYSA-L. The full InChI is InChI=1S/C6H14O6.2C2H4O2.Cu/c7-1-3(9)5(11)6(12)4(10)2-8;2*1-2(3)4;/h3-12H,1-2H2;2*1H3,(H,3,4);/q;;;+2/p-2/t3-,4+,5-,6-;;;/m1.../s1.
What are the key properties of copper;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;diacetate?
copper;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;diacetate has a molecular weight of 363.81 g/mol, XLogP of -6.08, 5 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for copper;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;diacetate is sourced from PubChem (CID 159153251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).