[(2S)-2,3-dihydroxypropyl] phosphate

C3H7O6P-2 — CID 7048685

IUPAC[(2S)-2,3-dihydroxypropyl] phosphate
SMILESO=P([O-])([O-])OC[C@@H](O)CO
InChIInChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/p-2/t3-/m0/s1
InChIKeyAWUCVROLDVIAJX-VKHMYHEASA-L
MW170.06 g/mol
LogP-2.82
Rot. Bonds4

About [(2S)-2,3-dihydroxypropyl] phosphate

[(2S)-2,3-dihydroxypropyl] phosphate (PubChem CID 7048685) has the molecular formula C3H7O6P-2 and a molecular weight of 170.06 g/mol. Its IUPAC name is [(2S)-2,3-dihydroxypropyl] phosphate.

Molecular Properties

Compound Name[(2S)-2,3-dihydroxypropyl] phosphate
PubChem CID7048685
Molecular FormulaC3H7O6P-2
Molecular Weight170.06 g/mol
Exact Mass170.00
IUPAC Name[(2S)-2,3-dihydroxypropyl] phosphate
SMILESO=P([O-])([O-])OC[C@@H](O)CO
InChIInChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/p-2/t3-/m0/s1
InChIKeyAWUCVROLDVIAJX-VKHMYHEASA-L
XLogP-2.82
TPSA112.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.06
LogP ≤ 5-2.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

disodium;[(2R)-2,3-dihydroxypropyl] phosphate
CID 73416363
dipotassium;2,3-dihydroxypropyl phosphate;trihydrate
CID 23617466
potassium 2,3-dihydroxypropyl hydrogen phosphate
CID 23691990
chloro 2,3-dihydroxypropyl phosphate
CID 22670557
2,3-dihydroxypropyl dihydrogen phosphate;hydrate
CID 88718153
CID 175855975
CID 175855975
[3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] [(2R)-2,3-dihydroxypropyl] hydrogen phosphate
CID 54575234
2,3-dihydroxypropyl dihydrogen phosphate;zinc
CID 88760413
disodium;1,3-dihydroxypropan-2-yl hydrogen phosphate;2,3-dihydroxypropyl hydrogen phosphate;hydrate
CID 134128771
trimagnesium;2,3-dihydroxypropyl dihydrogen phosphate;hydride
CID 174390583
barium(2+);[(2S,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl] phosphate
CID 117072657
(2S)-2-azaniumyl-3-[[(2R)-2,3-dihydroxypropoxy]-oxidophosphoryl]oxypropanoate
CID 57339260

Frequently Asked Questions

What is the IUPAC name of [(2S)-2,3-dihydroxypropyl] phosphate?
The IUPAC name of [(2S)-2,3-dihydroxypropyl] phosphate (CID 7048685) is [(2S)-2,3-dihydroxypropyl] phosphate.
What is the SMILES notation for [(2S)-2,3-dihydroxypropyl] phosphate?
The canonical SMILES for [(2S)-2,3-dihydroxypropyl] phosphate is O=P([O-])([O-])OC[C@@H](O)CO.
What is the InChIKey of [(2S)-2,3-dihydroxypropyl] phosphate?
The InChIKey is AWUCVROLDVIAJX-VKHMYHEASA-L. The full InChI is InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/p-2/t3-/m0/s1.
What are the key properties of [(2S)-2,3-dihydroxypropyl] phosphate?
[(2S)-2,3-dihydroxypropyl] phosphate has a molecular weight of 170.06 g/mol, XLogP of -2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2,3-dihydroxypropyl] phosphate is sourced from PubChem (CID 7048685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).