cyclohexylazanium;[(2R,3R,4R)-2,3,4,5-tetrahydroxypentanoyl] hydrogen phosphate

C11H24NO9P — CID 91873738

IUPACcyclohexylazanium;[(2R,3R,4R)-2,3,4,5-tetrahydroxypentanoyl] hydrogen phosphate
SMILESO=C(OP(=O)([O-])O)[C@H](O)[C@H](O)[C@H](O)CO.[NH3+]C1CCCCC1
InChIInChI=1S/C6H13N.C5H11O9P/c7-6-4-2-1-3-5-6;6-1-2(7)3(8)4(9)5(10)14-15(11,12)13/h6H,1-5,7H2;2-4,6-9H,1H2,(H2,11,12,13)/t;2-,3-,4-/m.1/s1
InChIKeyDKIRPLJPKCSZHX-KPZUUGGMSA-N
MW345.29 g/mol
LogP-3.37
Rot. Bonds5

About cyclohexylazanium;[(2R,3R,4R)-2,3,4,5-tetrahydroxypentanoyl] hydrogen phosphate

cyclohexylazanium;[(2R,3R,4R)-2,3,4,5-tetrahydroxypentanoyl] hydrogen phosphate (PubChem CID 91873738) has the molecular formula C11H24NO9P and a molecular weight of 345.29 g/mol. Its IUPAC name is cyclohexylazanium;[(2R,3R,4R)-2,3,4,5-tetrahydroxypentanoyl] hydrogen phosphate.

Molecular Properties

Compound Namecyclohexylazanium;[(2R,3R,4R)-2,3,4,5-tetrahydroxypentanoyl] hydrogen phosphate
PubChem CID91873738
Molecular FormulaC11H24NO9P
Molecular Weight345.29 g/mol
Exact Mass345.12
IUPAC Namecyclohexylazanium;[(2R,3R,4R)-2,3,4,5-tetrahydroxypentanoyl] hydrogen phosphate
SMILESO=C(OP(=O)([O-])O)[C@H](O)[C@H](O)[C@H](O)CO.[NH3+]C1CCCCC1
InChIInChI=1S/C6H13N.C5H11O9P/c7-6-4-2-1-3-5-6;6-1-2(7)3(8)4(9)5(10)14-15(11,12)13/h6H,1-5,7H2;2-4,6-9H,1H2,(H2,11,12,13)/t;2-,3-,4-/m.1/s1
InChIKeyDKIRPLJPKCSZHX-KPZUUGGMSA-N
XLogP-3.37
TPSA195.22 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.29
LogP ≤ 5-3.37
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

phosphono (2R,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexanoate
CID 87139786
cyclohexylazanium;2,3,4,5-tetrahydroxy-6-phosphonatooxyhexanoate
CID 167996574
[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]oxy-phosphonooxyphosphoryl] (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 87521416
cyclohexylazanium;carbonate
CID 15793122
[hydroxy-[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxo-6-phosphonooxyhexan-3-yl]oxyphosphoryl] (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 87961850
disodium;(3,4,5,6-tetrahydroxy-2-oxohexyl) phosphate
CID 164512399
(2R,3S,4R,5R)-N-cyclohexyl-2,3,4,5,6-pentahydroxyhexanamide
CID 11482797
cyclopentylazanium;methyl-dioxido-oxo-λ5-phosphane
CID 86741453
N-bis(cyclohexylamino)phosphorylcyclohexanamine;cyclohexylazanium;acetate
CID 139084006
[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl] (2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 174757733
(2R,3R,4R,5R)-N,N-dicyclohexyl-2,3,4,5,6-pentahydroxyhexanamide
CID 98565543
(2R,3S,4R)-2,3,4,5-tetrahydroxypentanoate
CID 5460056

Frequently Asked Questions

What is the IUPAC name of cyclohexylazanium;[(2R,3R,4R)-2,3,4,5-tetrahydroxypentanoyl] hydrogen phosphate?
The IUPAC name of cyclohexylazanium;[(2R,3R,4R)-2,3,4,5-tetrahydroxypentanoyl] hydrogen phosphate (CID 91873738) is cyclohexylazanium;[(2R,3R,4R)-2,3,4,5-tetrahydroxypentanoyl] hydrogen phosphate.
What is the SMILES notation for cyclohexylazanium;[(2R,3R,4R)-2,3,4,5-tetrahydroxypentanoyl] hydrogen phosphate?
The canonical SMILES for cyclohexylazanium;[(2R,3R,4R)-2,3,4,5-tetrahydroxypentanoyl] hydrogen phosphate is O=C(OP(=O)([O-])O)[C@H](O)[C@H](O)[C@H](O)CO.[NH3+]C1CCCCC1.
What is the InChIKey of cyclohexylazanium;[(2R,3R,4R)-2,3,4,5-tetrahydroxypentanoyl] hydrogen phosphate?
The InChIKey is DKIRPLJPKCSZHX-KPZUUGGMSA-N. The full InChI is InChI=1S/C6H13N.C5H11O9P/c7-6-4-2-1-3-5-6;6-1-2(7)3(8)4(9)5(10)14-15(11,12)13/h6H,1-5,7H2;2-4,6-9H,1H2,(H2,11,12,13)/t;2-,3-,4-/m.1/s1.
What are the key properties of cyclohexylazanium;[(2R,3R,4R)-2,3,4,5-tetrahydroxypentanoyl] hydrogen phosphate?
cyclohexylazanium;[(2R,3R,4R)-2,3,4,5-tetrahydroxypentanoyl] hydrogen phosphate has a molecular weight of 345.29 g/mol, XLogP of -3.37, 5 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylazanium;[(2R,3R,4R)-2,3,4,5-tetrahydroxypentanoyl] hydrogen phosphate is sourced from PubChem (CID 91873738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).