tripotassium;(3R,4S,5R)-3,4,5-trihydroxy-6-phosphonatooxyhexanoate

C6H10K3O9P — CID 173236721

IUPACtripotassium;(3R,4S,5R)-3,4,5-trihydroxy-6-phosphonatooxyhexanoate
SMILESO=C([O-])C[C@@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].[K+].[K+].[K+]
InChIInChI=1S/C6H13O9P.3K/c7-3(1-5(9)10)6(11)4(8)2-15-16(12,13)14;;;/h3-4,6-8,11H,1-2H2,(H,9,10)(H2,12,13,14);;;/q;3*+1/p-3/t3-,4-,6+;;;/m1.../s1
InChIKeyYQYWXVZZTRHAIQ-BRFANSBMSA-K
MW374.41 g/mol
LogP-13.93
Rot. Bonds7

About tripotassium;(3R,4S,5R)-3,4,5-trihydroxy-6-phosphonatooxyhexanoate

tripotassium;(3R,4S,5R)-3,4,5-trihydroxy-6-phosphonatooxyhexanoate (PubChem CID 173236721) has the molecular formula C6H10K3O9P and a molecular weight of 374.41 g/mol. Its IUPAC name is tripotassium;(3R,4S,5R)-3,4,5-trihydroxy-6-phosphonatooxyhexanoate.

Molecular Properties

Compound Nametripotassium;(3R,4S,5R)-3,4,5-trihydroxy-6-phosphonatooxyhexanoate
PubChem CID173236721
Molecular FormulaC6H10K3O9P
Molecular Weight374.41 g/mol
Exact Mass373.90
IUPAC Nametripotassium;(3R,4S,5R)-3,4,5-trihydroxy-6-phosphonatooxyhexanoate
SMILESO=C([O-])C[C@@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].[K+].[K+].[K+]
InChIInChI=1S/C6H13O9P.3K/c7-3(1-5(9)10)6(11)4(8)2-15-16(12,13)14;;;/h3-4,6-8,11H,1-2H2,(H,9,10)(H2,12,13,14);;;/q;3*+1/p-3/t3-,4-,6+;;;/m1.../s1
InChIKeyYQYWXVZZTRHAIQ-BRFANSBMSA-K
XLogP-13.93
TPSA173.24 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 5-13.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3,4,5-trihydroxy-6-phosphonatooxyhexanoate
CID 21130360
(3R,4S,5R)-3,4,5-trihydroxy-6-phosphonatooxyhexanoate
CID 59071501
(4R,5S,6R)-4,5,6-trihydroxy-2-oxo-7-phosphonatooxyheptanoate
CID 5460215
trisodium;(2R,3R,4R,5S)-2,3,4,5-tetrahydroxy-6-phosphonatooxyhexanoate
CID 53393638
dipotassium;[(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] phosphate
CID 91872652
[(2R,3S,4R)-2,3,4-trihydroxy-6-oxohexyl] phosphate
CID 46878412
barium(2+);[(2S,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl] phosphate
CID 117072657
disodium;[(2R,3S)-4-amino-2,3-dihydroxy-4-oxobutyl] phosphate
CID 59142123
[(2R,3S,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] phosphate
CID 23615358
tetrasodium;[(2R,3R,4S)-2,3,4-trihydroxy-5-oxo-6-phosphonatooxyhexyl] phosphate;hydrate
CID 146014410
disodium;[(2R,3R,4S,5S)-2,3,4,5-tetrahydroxy-6-oxohexyl] phosphate
CID 172676675
azane;platinum(2+);[(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] phosphate
CID 173440071

Frequently Asked Questions

What is the IUPAC name of tripotassium;(3R,4S,5R)-3,4,5-trihydroxy-6-phosphonatooxyhexanoate?
The IUPAC name of tripotassium;(3R,4S,5R)-3,4,5-trihydroxy-6-phosphonatooxyhexanoate (CID 173236721) is tripotassium;(3R,4S,5R)-3,4,5-trihydroxy-6-phosphonatooxyhexanoate.
What is the SMILES notation for tripotassium;(3R,4S,5R)-3,4,5-trihydroxy-6-phosphonatooxyhexanoate?
The canonical SMILES for tripotassium;(3R,4S,5R)-3,4,5-trihydroxy-6-phosphonatooxyhexanoate is O=C([O-])C[C@@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].[K+].[K+].[K+].
What is the InChIKey of tripotassium;(3R,4S,5R)-3,4,5-trihydroxy-6-phosphonatooxyhexanoate?
The InChIKey is YQYWXVZZTRHAIQ-BRFANSBMSA-K. The full InChI is InChI=1S/C6H13O9P.3K/c7-3(1-5(9)10)6(11)4(8)2-15-16(12,13)14;;;/h3-4,6-8,11H,1-2H2,(H,9,10)(H2,12,13,14);;;/q;3*+1/p-3/t3-,4-,6+;;;/m1.../s1.
What are the key properties of tripotassium;(3R,4S,5R)-3,4,5-trihydroxy-6-phosphonatooxyhexanoate?
tripotassium;(3R,4S,5R)-3,4,5-trihydroxy-6-phosphonatooxyhexanoate has a molecular weight of 374.41 g/mol, XLogP of -13.93, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tripotassium;(3R,4S,5R)-3,4,5-trihydroxy-6-phosphonatooxyhexanoate is sourced from PubChem (CID 173236721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).