[(2R)-1-decanoyloxy-3-phosphonooxypropan-2-yl] dodecanoate

C25H48O8P- — CID 155817654

IUPAC[(2R)-1-decanoyloxy-3-phosphonooxypropan-2-yl] dodecanoate
SMILES[CH2-]CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC)COP(=O)(O)O
InChIInChI=1S/C25H48O8P/c1-3-5-7-9-11-12-14-16-18-20-25(27)33-23(22-32-34(28,29)30)21-31-24(26)19-17-15-13-10-8-6-4-2/h23H,1,3-22H2,2H3,(H2,28,29,30)/q-1/t23-/m1/s1
InChIKeyHGWVWYMRWAYEAX-HSZRJFAPSA-N
MW507.63 g/mol
LogP6.43
Rot. Bonds24

About [(2R)-1-decanoyloxy-3-phosphonooxypropan-2-yl] dodecanoate

[(2R)-1-decanoyloxy-3-phosphonooxypropan-2-yl] dodecanoate (PubChem CID 155817654) has the molecular formula C25H48O8P- and a molecular weight of 507.63 g/mol. Its IUPAC name is [(2R)-1-decanoyloxy-3-phosphonooxypropan-2-yl] dodecanoate.

Molecular Properties

Compound Name[(2R)-1-decanoyloxy-3-phosphonooxypropan-2-yl] dodecanoate
PubChem CID155817654
Molecular FormulaC25H48O8P-
Molecular Weight507.63 g/mol
Exact Mass507.31
IUPAC Name[(2R)-1-decanoyloxy-3-phosphonooxypropan-2-yl] dodecanoate
SMILES[CH2-]CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC)COP(=O)(O)O
InChIInChI=1S/C25H48O8P/c1-3-5-7-9-11-12-14-16-18-20-25(27)33-23(22-32-34(28,29)30)21-31-24(26)19-17-15-13-10-8-6-4-2/h23H,1,3-22H2,2H3,(H2,28,29,30)/q-1/t23-/m1/s1
InChIKeyHGWVWYMRWAYEAX-HSZRJFAPSA-N
XLogP6.43
TPSA119.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.63
LogP ≤ 56.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-2-nonanoyloxy-3-phosphonooxypropyl] undecanoate
CID 163410232
[(2R)-2-hexadecanoyloxy-3-phosphonooxypropyl] henicosanoate
CID 52929272
(1-dodecanoyloxy-3-phosphonooxypropan-2-yl) heptadecanoate
CID 75961505
(1-pentadecanoyloxy-3-phosphonooxypropan-2-yl) octadecanoate
CID 75962365
(1-phosphonooxy-3-undecanoyloxypropan-2-yl) hexacosanoate
CID 133021246
[(2R)-2-pentadecanoyloxy-3-phosphonooxypropyl] pentadecanoate
CID 52929562
[(2R)-1-phosphonooxy-3-undecanoyloxypropan-2-yl] hexadecanoate
CID 134762849
[(2R)-1-dodecanoyloxy-3-phosphonooxypropan-2-yl] pentacosanoate
CID 134718595
[(2R)-1-phosphonooxy-3-undecanoyloxypropan-2-yl] nonadecanoate
CID 134779489
(1-phosphonooxy-3-tricosanoyloxypropan-2-yl) pentacosanoate
CID 133023123
[(2R)-1-phosphonooxy-3-tetracosanoyloxypropan-2-yl] hexacosanoate
CID 134770592
(1-pentacosanoyloxy-3-phosphonooxypropan-2-yl) hexacosanoate
CID 133023345

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-decanoyloxy-3-phosphonooxypropan-2-yl] dodecanoate?
The IUPAC name of [(2R)-1-decanoyloxy-3-phosphonooxypropan-2-yl] dodecanoate (CID 155817654) is [(2R)-1-decanoyloxy-3-phosphonooxypropan-2-yl] dodecanoate.
What is the SMILES notation for [(2R)-1-decanoyloxy-3-phosphonooxypropan-2-yl] dodecanoate?
The canonical SMILES for [(2R)-1-decanoyloxy-3-phosphonooxypropan-2-yl] dodecanoate is [CH2-]CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC)COP(=O)(O)O.
What is the InChIKey of [(2R)-1-decanoyloxy-3-phosphonooxypropan-2-yl] dodecanoate?
The InChIKey is HGWVWYMRWAYEAX-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H48O8P/c1-3-5-7-9-11-12-14-16-18-20-25(27)33-23(22-32-34(28,29)30)21-31-24(26)19-17-15-13-10-8-6-4-2/h23H,1,3-22H2,2H3,(H2,28,29,30)/q-1/t23-/m1/s1.
What are the key properties of [(2R)-1-decanoyloxy-3-phosphonooxypropan-2-yl] dodecanoate?
[(2R)-1-decanoyloxy-3-phosphonooxypropan-2-yl] dodecanoate has a molecular weight of 507.63 g/mol, XLogP of 6.43, 24 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-decanoyloxy-3-phosphonooxypropan-2-yl] dodecanoate is sourced from PubChem (CID 155817654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).