[(2R)-2-butanoyloxy-3-propanoyloxypropyl] 2,3-dihydroxypropyl phosphate

C13H24O10P- — CID 58264451

IUPAC[(2R)-2-butanoyloxy-3-propanoyloxypropyl] 2,3-dihydroxypropyl phosphate
SMILESCCCC(=O)O[C@H](COC(=O)CC)COP(=O)([O-])OCC(O)CO
InChIInChI=1S/C13H25O10P/c1-3-5-13(17)23-11(8-20-12(16)4-2)9-22-24(18,19)21-7-10(15)6-14/h10-11,14-15H,3-9H2,1-2H3,(H,18,19)/p-1/t10?,11-/m1/s1
InChIKeyARRIVVHIBIOCFF-RRKGBCIJSA-M
MW371.30 g/mol
LogP-0.49
Rot. Bonds13

About [(2R)-2-butanoyloxy-3-propanoyloxypropyl] 2,3-dihydroxypropyl phosphate

[(2R)-2-butanoyloxy-3-propanoyloxypropyl] 2,3-dihydroxypropyl phosphate (PubChem CID 58264451) has the molecular formula C13H24O10P- and a molecular weight of 371.30 g/mol. Its IUPAC name is [(2R)-2-butanoyloxy-3-propanoyloxypropyl] 2,3-dihydroxypropyl phosphate.

Molecular Properties

Compound Name[(2R)-2-butanoyloxy-3-propanoyloxypropyl] 2,3-dihydroxypropyl phosphate
PubChem CID58264451
Molecular FormulaC13H24O10P-
Molecular Weight371.30 g/mol
Exact Mass371.11
IUPAC Name[(2R)-2-butanoyloxy-3-propanoyloxypropyl] 2,3-dihydroxypropyl phosphate
SMILESCCCC(=O)O[C@H](COC(=O)CC)COP(=O)([O-])OCC(O)CO
InChIInChI=1S/C13H25O10P/c1-3-5-13(17)23-11(8-20-12(16)4-2)9-22-24(18,19)21-7-10(15)6-14/h10-11,14-15H,3-9H2,1-2H3,(H,18,19)/p-1/t10?,11-/m1/s1
InChIKeyARRIVVHIBIOCFF-RRKGBCIJSA-M
XLogP-0.49
TPSA151.65 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.30
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-2,3-dihydroxypropyl] [(2R)-2-hexadecanoyloxy-3-octadecanoyloxypropyl] phosphate
CID 71296222
sodium [(2R)-2-butanoyloxy-3-propanoyloxypropyl] 1,2-dihydroxyethyl phosphate
CID 158820937
sodium 2,3-dihydroxypropyl 2,3-di(tetradecanoyloxy)propyl phosphate
CID 23683491
sodium 2,3-di(heptadecanoyloxy)propyl 2,3-dihydroxypropyl phosphate
CID 75228758
2,3-dihydroxypropyl 2,3-di(octadecanoyloxy)propyl phosphate;tetrabutylazanium
CID 71528140
2,3-dihydroxypropyl [(2R)-2,3-di(octadec-9-enoyloxy)propyl] phosphate
CID 171156742
[(2S)-2,3-dihydroxypropyl] [(2R)-2-hexadecanoyloxy-3-[(Z)-octadec-9-enoyl]oxypropyl] phosphate
CID 71296223
sodium 2,3-dihydroxypropyl [(2R)-2,3-di(octadec-9-enoyloxy)propyl] phosphate
CID 162343472
disodium;2,3-diacetyloxypropyl [(2R)-2,3-di(tetradecanoyloxy)propyl] phosphate;2,3-dihydroxypropyl [(2R)-2,3-di(tetradecanoyloxy)propyl] phosphate;methane
CID 161188010
[(2R)-1-butanoyloxy-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxypropan-2-yl] (4S)-4-hydroxypentanoate
CID 175679099
disodium;[3-[[(2R)-2,3-di(tetradecanoyloxy)propoxy]-oxidophosphoryl]oxy-2-hydroxypropyl] [(2R)-2,3-di(tetradecanoyloxy)propyl] phosphate
CID 171920887
[1-butanoyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] tetracosanoate
CID 138297774

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-butanoyloxy-3-propanoyloxypropyl] 2,3-dihydroxypropyl phosphate?
The IUPAC name of [(2R)-2-butanoyloxy-3-propanoyloxypropyl] 2,3-dihydroxypropyl phosphate (CID 58264451) is [(2R)-2-butanoyloxy-3-propanoyloxypropyl] 2,3-dihydroxypropyl phosphate.
What is the SMILES notation for [(2R)-2-butanoyloxy-3-propanoyloxypropyl] 2,3-dihydroxypropyl phosphate?
The canonical SMILES for [(2R)-2-butanoyloxy-3-propanoyloxypropyl] 2,3-dihydroxypropyl phosphate is CCCC(=O)O[C@H](COC(=O)CC)COP(=O)([O-])OCC(O)CO.
What is the InChIKey of [(2R)-2-butanoyloxy-3-propanoyloxypropyl] 2,3-dihydroxypropyl phosphate?
The InChIKey is ARRIVVHIBIOCFF-RRKGBCIJSA-M. The full InChI is InChI=1S/C13H25O10P/c1-3-5-13(17)23-11(8-20-12(16)4-2)9-22-24(18,19)21-7-10(15)6-14/h10-11,14-15H,3-9H2,1-2H3,(H,18,19)/p-1/t10?,11-/m1/s1.
What are the key properties of [(2R)-2-butanoyloxy-3-propanoyloxypropyl] 2,3-dihydroxypropyl phosphate?
[(2R)-2-butanoyloxy-3-propanoyloxypropyl] 2,3-dihydroxypropyl phosphate has a molecular weight of 371.30 g/mol, XLogP of -0.49, 13 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-butanoyloxy-3-propanoyloxypropyl] 2,3-dihydroxypropyl phosphate is sourced from PubChem (CID 58264451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).