2,3-dihydroxypropyl dihydrogen phosphate;2-hydroxyethyl(trimethyl)azanium

C8H23NO7P+ — CID 87187110

IUPAC2,3-dihydroxypropyl dihydrogen phosphate;2-hydroxyethyl(trimethyl)azanium
SMILESC[N+](C)(C)CCO.O=P(O)(O)OCC(O)CO
InChIInChI=1S/C5H14NO.C3H9O6P/c1-6(2,3)4-5-7;4-1-3(5)2-9-10(6,7)8/h7H,4-5H2,1-3H3;3-5H,1-2H2,(H2,6,7,8)/q+1;
InChIKeyPUKALBKVVHSDQX-UHFFFAOYSA-N
MW276.25 g/mol
LogP-1.87
Rot. Bonds6

About 2,3-dihydroxypropyl dihydrogen phosphate;2-hydroxyethyl(trimethyl)azanium

2,3-dihydroxypropyl dihydrogen phosphate;2-hydroxyethyl(trimethyl)azanium (PubChem CID 87187110) has the molecular formula C8H23NO7P+ and a molecular weight of 276.25 g/mol. Its IUPAC name is 2,3-dihydroxypropyl dihydrogen phosphate;2-hydroxyethyl(trimethyl)azanium.

Molecular Properties

Compound Name2,3-dihydroxypropyl dihydrogen phosphate;2-hydroxyethyl(trimethyl)azanium
PubChem CID87187110
Molecular FormulaC8H23NO7P+
Molecular Weight276.25 g/mol
Exact Mass276.12
IUPAC Name2,3-dihydroxypropyl dihydrogen phosphate;2-hydroxyethyl(trimethyl)azanium
SMILESC[N+](C)(C)CCO.O=P(O)(O)OCC(O)CO
InChIInChI=1S/C5H14NO.C3H9O6P/c1-6(2,3)4-5-7;4-1-3(5)2-9-10(6,7)8/h7H,4-5H2,1-3H3;3-5H,1-2H2,(H2,6,7,8)/q+1;
InChIKeyPUKALBKVVHSDQX-UHFFFAOYSA-N
XLogP-1.87
TPSA127.45 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 5-1.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

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-(2-hydroxy-3-phosphonooxypropoxy)ethyl-trimethylazanium
CID 174875717
CID 175855975
CID 175855975
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
calcium;hydride;2-hydroxyethyl(trimethyl)azanium;trimethyl(2-phosphonooxyethyl)azanium;hydrochloride
CID 174999238
2,3-dihydroxypropyl dihydrogen phosphate;3-prop-2-enoxyprop-1-ene
CID 87845126
2,3-dihydroxypropyl dihydrogen phosphate;pentadecane-1,2-diol
CID 88646758
ethane-1,2-diol;trimethyl(2-phosphonooxyethyl)azanium
CID 87302200
[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 2,3-dihydroxypropyl dihydrogen phosphate;2-hydroxyethyl(trimethyl)azanium?
The IUPAC name of 2,3-dihydroxypropyl dihydrogen phosphate;2-hydroxyethyl(trimethyl)azanium (CID 87187110) is 2,3-dihydroxypropyl dihydrogen phosphate;2-hydroxyethyl(trimethyl)azanium.
What is the SMILES notation for 2,3-dihydroxypropyl dihydrogen phosphate;2-hydroxyethyl(trimethyl)azanium?
The canonical SMILES for 2,3-dihydroxypropyl dihydrogen phosphate;2-hydroxyethyl(trimethyl)azanium is C[N+](C)(C)CCO.O=P(O)(O)OCC(O)CO.
What is the InChIKey of 2,3-dihydroxypropyl dihydrogen phosphate;2-hydroxyethyl(trimethyl)azanium?
The InChIKey is PUKALBKVVHSDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14NO.C3H9O6P/c1-6(2,3)4-5-7;4-1-3(5)2-9-10(6,7)8/h7H,4-5H2,1-3H3;3-5H,1-2H2,(H2,6,7,8)/q+1;.
What are the key properties of 2,3-dihydroxypropyl dihydrogen phosphate;2-hydroxyethyl(trimethyl)azanium?
2,3-dihydroxypropyl dihydrogen phosphate;2-hydroxyethyl(trimethyl)azanium has a molecular weight of 276.25 g/mol, XLogP of -1.87, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl dihydrogen phosphate;2-hydroxyethyl(trimethyl)azanium is sourced from PubChem (CID 87187110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).