[(2R)-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] acetate

C8H17O9P — CID 153447851

IUPAC[(2R)-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] acetate
SMILESCC(=O)OC[C@@H](O)COP(=O)(O)OCC(O)CO
InChIInChI=1S/C8H17O9P/c1-6(10)15-3-8(12)5-17-18(13,14)16-4-7(11)2-9/h7-9,11-12H,2-5H2,1H3,(H,13,14)/t7?,8-/m1/s1
InChIKeyTVDNPYDRVKWCQW-BRFYHDHCSA-N
MW288.19 g/mol
LogP-1.60
Rot. Bonds9

About [(2R)-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] acetate

[(2R)-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] acetate (PubChem CID 153447851) has the molecular formula C8H17O9P and a molecular weight of 288.19 g/mol. Its IUPAC name is [(2R)-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] acetate.

Molecular Properties

Compound Name[(2R)-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] acetate
PubChem CID153447851
Molecular FormulaC8H17O9P
Molecular Weight288.19 g/mol
Exact Mass288.06
IUPAC Name[(2R)-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] acetate
SMILESCC(=O)OC[C@@H](O)COP(=O)(O)OCC(O)CO
InChIInChI=1S/C8H17O9P/c1-6(10)15-3-8(12)5-17-18(13,14)16-4-7(11)2-9/h7-9,11-12H,2-5H2,1H3,(H,13,14)/t7?,8-/m1/s1
InChIKeyTVDNPYDRVKWCQW-BRFYHDHCSA-N
XLogP-1.60
TPSA142.75 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 5-1.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] [(2R)-2,3-dihydroxypropyl] hydrogen phosphate
CID 54575234
CID 175855975
CID 175855975
copper;2,3-dihydroxypropyl acetate
CID 175414462
[3-[ethenoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] acetate
CID 89188019
[(2R)-3-[[(2S)-3-[[(2R)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] decanoate
CID 163196948
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] tridecanoate
CID 42607482
[(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
[1-acetyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] decanoate
CID 138226910
[1-acetyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] tetradecanoate
CID 138226875
[(2R)-2-acetyloxy-3-[[(2R)-3-[[(2R)-2,3-diacetyloxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxypropyl] propanoate;propane
CID 163183432
[3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-(2-methylpropanoyloxy)propyl] 2-methylpropanoate
CID 59083626
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
CID 52927439

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] acetate?
The IUPAC name of [(2R)-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] acetate (CID 153447851) is [(2R)-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] acetate.
What is the SMILES notation for [(2R)-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] acetate?
The canonical SMILES for [(2R)-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] acetate is CC(=O)OC[C@@H](O)COP(=O)(O)OCC(O)CO.
What is the InChIKey of [(2R)-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] acetate?
The InChIKey is TVDNPYDRVKWCQW-BRFYHDHCSA-N. The full InChI is InChI=1S/C8H17O9P/c1-6(10)15-3-8(12)5-17-18(13,14)16-4-7(11)2-9/h7-9,11-12H,2-5H2,1H3,(H,13,14)/t7?,8-/m1/s1.
What are the key properties of [(2R)-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] acetate?
[(2R)-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] acetate has a molecular weight of 288.19 g/mol, XLogP of -1.60, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] acetate is sourced from PubChem (CID 153447851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).