cyclohexanamine;2,3-dihydroxypropyl dihydrogen phosphate

C9H22NO6P — CID 71317128

IUPACcyclohexanamine;2,3-dihydroxypropyl dihydrogen phosphate
SMILESNC1CCCCC1.O=P(O)(O)OCC(O)CO
InChIInChI=1S/C6H13N.C3H9O6P/c7-6-4-2-1-3-5-6;4-1-3(5)2-9-10(6,7)8/h6H,1-5,7H2;3-5H,1-2H2,(H2,6,7,8)
InChIKeyKRPIJKAIDSXSIO-UHFFFAOYSA-N
MW271.25 g/mol
LogP-0.27
Rot. Bonds4

About cyclohexanamine;2,3-dihydroxypropyl dihydrogen phosphate

cyclohexanamine;2,3-dihydroxypropyl dihydrogen phosphate (PubChem CID 71317128) has the molecular formula C9H22NO6P and a molecular weight of 271.25 g/mol. Its IUPAC name is cyclohexanamine;2,3-dihydroxypropyl dihydrogen phosphate.

Molecular Properties

Compound Namecyclohexanamine;2,3-dihydroxypropyl dihydrogen phosphate
PubChem CID71317128
Molecular FormulaC9H22NO6P
Molecular Weight271.25 g/mol
Exact Mass271.12
IUPAC Namecyclohexanamine;2,3-dihydroxypropyl dihydrogen phosphate
SMILESNC1CCCCC1.O=P(O)(O)OCC(O)CO
InChIInChI=1S/C6H13N.C3H9O6P/c7-6-4-2-1-3-5-6;4-1-3(5)2-9-10(6,7)8/h6H,1-5,7H2;3-5H,1-2H2,(H2,6,7,8)
InChIKeyKRPIJKAIDSXSIO-UHFFFAOYSA-N
XLogP-0.27
TPSA133.24 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 5-0.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexylcyclohexanamine;2,3-dihydroxypropyl dihydrogen phosphate
CID 70264919
2,3-dihydroxypropyl dihydrogen phosphate;hydrate
CID 88718153
2,3-dihydroxypropyl dihydrogen phosphate;zinc
CID 88760413
trimagnesium;2,3-dihydroxypropyl dihydrogen phosphate;hydride
CID 174390583
2,3-dihydroxypropyl dihydrogen phosphate;3-prop-2-enoxyprop-1-ene
CID 87845126
2-cyanoethyl dihydrogen phosphate;cyclohexanamine
CID 170844693
tris(N-cyclohexylcyclohexanamine);phosphoric acid;propane-1,2,3-triol
CID 173214740
2,3-dihydroxypropyl dihydrogen phosphate;2-methylprop-2-enoic acid
CID 159257312
[(2S)-3-[[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-methylphosphoryl]oxy-2-hydroxypropyl] [(2R)-2-hydroxy-3-phosphonooxypropyl] hydrogen phosphate
CID 89473518
2,3-dihydroxypropyl dihydrogen phosphate;2-hydroxyethyl(trimethyl)azanium
CID 87187110
CID 175855975
CID 175855975
[3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] [(2R)-2,3-dihydroxypropyl] hydrogen phosphate
CID 54575234

Frequently Asked Questions

What is the IUPAC name of cyclohexanamine;2,3-dihydroxypropyl dihydrogen phosphate?
The IUPAC name of cyclohexanamine;2,3-dihydroxypropyl dihydrogen phosphate (CID 71317128) is cyclohexanamine;2,3-dihydroxypropyl dihydrogen phosphate.
What is the SMILES notation for cyclohexanamine;2,3-dihydroxypropyl dihydrogen phosphate?
The canonical SMILES for cyclohexanamine;2,3-dihydroxypropyl dihydrogen phosphate is NC1CCCCC1.O=P(O)(O)OCC(O)CO.
What is the InChIKey of cyclohexanamine;2,3-dihydroxypropyl dihydrogen phosphate?
The InChIKey is KRPIJKAIDSXSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C3H9O6P/c7-6-4-2-1-3-5-6;4-1-3(5)2-9-10(6,7)8/h6H,1-5,7H2;3-5H,1-2H2,(H2,6,7,8).
What are the key properties of cyclohexanamine;2,3-dihydroxypropyl dihydrogen phosphate?
cyclohexanamine;2,3-dihydroxypropyl dihydrogen phosphate has a molecular weight of 271.25 g/mol, XLogP of -0.27, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanamine;2,3-dihydroxypropyl dihydrogen phosphate is sourced from PubChem (CID 71317128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).