2,3-dihydroxypropyl dihydrogen phosphate;hydrate

C3H11O7P — CID 88718153

IUPAC2,3-dihydroxypropyl dihydrogen phosphate;hydrate
SMILESO.O=P(O)(O)OCC(O)CO
InChIInChI=1S/C3H9O6P.H2O/c4-1-3(5)2-9-10(6,7)8;/h3-5H,1-2H2,(H2,6,7,8);1H2
InChIKeyFYMQYXAOUWCGLY-UHFFFAOYSA-N
MW190.09 g/mol
LogP-2.38
Rot. Bonds4

About 2,3-dihydroxypropyl dihydrogen phosphate;hydrate

2,3-dihydroxypropyl dihydrogen phosphate;hydrate (PubChem CID 88718153) has the molecular formula C3H11O7P and a molecular weight of 190.09 g/mol. Its IUPAC name is 2,3-dihydroxypropyl dihydrogen phosphate;hydrate.

Molecular Properties

Compound Name2,3-dihydroxypropyl dihydrogen phosphate;hydrate
PubChem CID88718153
Molecular FormulaC3H11O7P
Molecular Weight190.09 g/mol
Exact Mass190.02
IUPAC Name2,3-dihydroxypropyl dihydrogen phosphate;hydrate
SMILESO.O=P(O)(O)OCC(O)CO
InChIInChI=1S/C3H9O6P.H2O/c4-1-3(5)2-9-10(6,7)8;/h3-5H,1-2H2,(H2,6,7,8);1H2
InChIKeyFYMQYXAOUWCGLY-UHFFFAOYSA-N
XLogP-2.38
TPSA138.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.09
LogP ≤ 5-2.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
2,3-dihydroxypropyl dihydrogen phosphate;2-methylprop-2-enoic acid
CID 159257312
2,3-dihydroxypropyl dihydrogen phosphate;2-hydroxyethyl(trimethyl)azanium
CID 87187110
[(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
CID 175855975
CID 175855975
[3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] [(2R)-2,3-dihydroxypropyl] hydrogen phosphate
CID 54575234
cyclohexanamine;2,3-dihydroxypropyl dihydrogen phosphate
CID 71317128
2,3-dihydroxypropyl dihydrogen phosphate;pentadecane-1,2-diol
CID 88646758
dipotassium;2,3-dihydroxypropyl phosphate;trihydrate
CID 23617466
potassium 2,3-dihydroxypropyl hydrogen phosphate
CID 23691990

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl dihydrogen phosphate;hydrate?
The IUPAC name of 2,3-dihydroxypropyl dihydrogen phosphate;hydrate (CID 88718153) is 2,3-dihydroxypropyl dihydrogen phosphate;hydrate.
What is the SMILES notation for 2,3-dihydroxypropyl dihydrogen phosphate;hydrate?
The canonical SMILES for 2,3-dihydroxypropyl dihydrogen phosphate;hydrate is O.O=P(O)(O)OCC(O)CO.
What is the InChIKey of 2,3-dihydroxypropyl dihydrogen phosphate;hydrate?
The InChIKey is FYMQYXAOUWCGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9O6P.H2O/c4-1-3(5)2-9-10(6,7)8;/h3-5H,1-2H2,(H2,6,7,8);1H2.
What are the key properties of 2,3-dihydroxypropyl dihydrogen phosphate;hydrate?
2,3-dihydroxypropyl dihydrogen phosphate;hydrate has a molecular weight of 190.09 g/mol, XLogP of -2.38, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl dihydrogen phosphate;hydrate is sourced from PubChem (CID 88718153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).