2,3,4,5,6-pentahydroxyhexanoic acid;samarium

C6H12O7Sm — CID 174356569

IUPAC2,3,4,5,6-pentahydroxyhexanoic acid;samarium
SMILESO=C(O)C(O)C(O)C(O)C(O)CO.[Sm]
InChIInChI=1S/C6H12O7.Sm/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h2-5,7-11H,1H2,(H,12,13);
InChIKeyAUJORAZLBFCOQB-UHFFFAOYSA-N
MW346.52 g/mol
LogP-3.49
Rot. Bonds5

About 2,3,4,5,6-pentahydroxyhexanoic acid;samarium

2,3,4,5,6-pentahydroxyhexanoic acid;samarium (PubChem CID 174356569) has the molecular formula C6H12O7Sm and a molecular weight of 346.52 g/mol. Its IUPAC name is 2,3,4,5,6-pentahydroxyhexanoic acid;samarium.

Molecular Properties

Compound Name2,3,4,5,6-pentahydroxyhexanoic acid;samarium
PubChem CID174356569
Molecular FormulaC6H12O7Sm
Molecular Weight346.52 g/mol
Exact Mass347.98
IUPAC Name2,3,4,5,6-pentahydroxyhexanoic acid;samarium
SMILESO=C(O)C(O)C(O)C(O)C(O)CO.[Sm]
InChIInChI=1S/C6H12O7.Sm/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h2-5,7-11H,1H2,(H,12,13);
InChIKeyAUJORAZLBFCOQB-UHFFFAOYSA-N
XLogP-3.49
TPSA138.45 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.52
LogP ≤ 5-3.49
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

(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
(4R)-2,3,4,5,6-pentahydroxyhexanoic acid
CID 134944021
(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
copper;bis((2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid)
CID 14475284
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid;(2S,4R)-pentane-1,2,3,4,5-pentol
CID 175899129
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
copper;pentakis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid)
CID 173123824
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 2,3,4,5,6-pentahydroxyhexanoic acid;samarium?
The IUPAC name of 2,3,4,5,6-pentahydroxyhexanoic acid;samarium (CID 174356569) is 2,3,4,5,6-pentahydroxyhexanoic acid;samarium.
What is the SMILES notation for 2,3,4,5,6-pentahydroxyhexanoic acid;samarium?
The canonical SMILES for 2,3,4,5,6-pentahydroxyhexanoic acid;samarium is O=C(O)C(O)C(O)C(O)C(O)CO.[Sm].
What is the InChIKey of 2,3,4,5,6-pentahydroxyhexanoic acid;samarium?
The InChIKey is AUJORAZLBFCOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O7.Sm/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h2-5,7-11H,1H2,(H,12,13);.
What are the key properties of 2,3,4,5,6-pentahydroxyhexanoic acid;samarium?
2,3,4,5,6-pentahydroxyhexanoic acid;samarium has a molecular weight of 346.52 g/mol, XLogP of -3.49, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentahydroxyhexanoic acid;samarium is sourced from PubChem (CID 174356569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).