potassium;hydride;tris((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid)

C18H37KO21 — CID 173213444

IUPACpotassium;hydride;tris((2R,3S,4R,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.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[H-].[K+]
InChIInChI=1S/3C6H12O7.K.H/c3*7-1-2(8)3(9)4(10)5(11)6(12)13;;/h3*2-5,7-11H,1H2,(H,12,13);;/q;;;+1;-1/t3*2-,3-,4+,5-;;/m111../s1
InChIKeyPUGNVXPHVGLHBM-OKGJEOPESA-N
MW628.57 g/mol
LogP-13.36
Rot. Bonds15

About potassium;hydride;tris((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid)

potassium;hydride;tris((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid) (PubChem CID 173213444) has the molecular formula C18H37KO21 and a molecular weight of 628.57 g/mol. Its IUPAC name is potassium;hydride;tris((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid).

Molecular Properties

Compound Namepotassium;hydride;tris((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid)
PubChem CID173213444
Molecular FormulaC18H37KO21
Molecular Weight628.57 g/mol
Exact Mass628.15
IUPAC Namepotassium;hydride;tris((2R,3S,4R,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.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[H-].[K+]
InChIInChI=1S/3C6H12O7.K.H/c3*7-1-2(8)3(9)4(10)5(11)6(12)13;;/h3*2-5,7-11H,1H2,(H,12,13);;/q;;;+1;-1/t3*2-,3-,4+,5-;;/m111../s1
InChIKeyPUGNVXPHVGLHBM-OKGJEOPESA-N
XLogP-13.36
TPSA415.35 Ų
H-Bond Donors18
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms40
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500628.57
LogP ≤ 5-13.36
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1018

Analyze potassium;hydride;tris((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid) with MolForge

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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
sodium;hydride;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid;stibane
CID 173024779
magnesium;hydride;λ2-stannane;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
CID 173075138
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
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
copper;pentakis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid)
CID 173123824

Frequently Asked Questions

What is the IUPAC name of potassium;hydride;tris((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid)?
The IUPAC name of potassium;hydride;tris((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid) (CID 173213444) is potassium;hydride;tris((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid).
What is the SMILES notation for potassium;hydride;tris((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid)?
The canonical SMILES for potassium;hydride;tris((2R,3S,4R,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.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[H-].[K+].
What is the InChIKey of potassium;hydride;tris((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid)?
The InChIKey is PUGNVXPHVGLHBM-OKGJEOPESA-N. The full InChI is InChI=1S/3C6H12O7.K.H/c3*7-1-2(8)3(9)4(10)5(11)6(12)13;;/h3*2-5,7-11H,1H2,(H,12,13);;/q;;;+1;-1/t3*2-,3-,4+,5-;;/m111../s1.
What are the key properties of potassium;hydride;tris((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid)?
potassium;hydride;tris((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid) has a molecular weight of 628.57 g/mol, XLogP of -13.36, 15 rotatable bonds, 18 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;tris((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid) is sourced from PubChem (CID 173213444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).