copper;bis((2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid)

C12H24CuO14 — CID 14475284

IUPACcopper;bis((2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid)
SMILESO=C(O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO.O=C(O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO.[Cu]
InChIInChI=1S/2C6H12O7.Cu/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/t2*2-,3+,4-,5-;/m11./s1
InChIKeyUIDMJAFPMKNXHF-MZDSYRDGSA-N
MW455.86 g/mol
LogP-6.99
Rot. Bonds10

About copper;bis((2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid)

copper;bis((2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid) (PubChem CID 14475284) has the molecular formula C12H24CuO14 and a molecular weight of 455.86 g/mol. Its IUPAC name is copper;bis((2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid).

Molecular Properties

Compound Namecopper;bis((2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid)
PubChem CID14475284
Molecular FormulaC12H24CuO14
Molecular Weight455.86 g/mol
Exact Mass455.05
IUPAC Namecopper;bis((2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid)
SMILESO=C(O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO.O=C(O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO.[Cu]
InChIInChI=1S/2C6H12O7.Cu/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/t2*2-,3+,4-,5-;/m11./s1
InChIKeyUIDMJAFPMKNXHF-MZDSYRDGSA-N
XLogP-6.99
TPSA276.90 Ų
H-Bond Donors12
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500455.86
LogP ≤ 5-6.99
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1012

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Related Compounds

copper;pentakis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid)
CID 173123824
(4R)-2,3,4,5,6-pentahydroxyhexanoic acid
CID 134944021
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy(113C)hexanoic acid
CID 165412478
hexane-1,2,3,4,5,6-hexol;2,3,4,5,6-pentahydroxyhexanoic acid
CID 174726112
(3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
CID 11479470
azane;bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid)
CID 175905684
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid;(2S,4R)-pentane-1,2,3,4,5-pentol
CID 175899129
2,3,4,5,6-pentahydroxyhexanoic acid;samarium
CID 174356569
pentacosazinc;tridecakis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid)
CID 173246066
(2S,3S,4S,5S,6S)-2,3,4,5,6,7-hexahydroxyheptanoic acid
CID 3084118
bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid);titanium
CID 132993109
actinium;2,3,4,5,6-pentahydroxyhexanoic acid
CID 22966554

Frequently Asked Questions

What is the IUPAC name of copper;bis((2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid)?
The IUPAC name of copper;bis((2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid) (CID 14475284) is copper;bis((2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid).
What is the SMILES notation for copper;bis((2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid)?
The canonical SMILES for copper;bis((2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid) is O=C(O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO.O=C(O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO.[Cu].
What is the InChIKey of copper;bis((2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid)?
The InChIKey is UIDMJAFPMKNXHF-MZDSYRDGSA-N. The full InChI is InChI=1S/2C6H12O7.Cu/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/t2*2-,3+,4-,5-;/m11./s1.
What are the key properties of copper;bis((2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid)?
copper;bis((2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid) has a molecular weight of 455.86 g/mol, XLogP of -6.99, 10 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis((2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid) is sourced from PubChem (CID 14475284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).