[(2R)-1-hydroxy-3-(hydroxymethoxy)propan-2-yl] pentadecanoate

C19H38O5 — CID 59520968

IUPAC[(2R)-1-hydroxy-3-(hydroxymethoxy)propan-2-yl] pentadecanoate
SMILESCCCCCCCCCCCCCCC(=O)O[C@H](CO)COCO
InChIInChI=1S/C19H38O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19(22)24-18(15-20)16-23-17-21/h18,20-21H,2-17H2,1H3/t18-/m1/s1
InChIKeyLHNTUPDLDXSMSO-GOSISDBHSA-N
MW346.51 g/mol
LogP3.95
Rot. Bonds18

About [(2R)-1-hydroxy-3-(hydroxymethoxy)propan-2-yl] pentadecanoate

[(2R)-1-hydroxy-3-(hydroxymethoxy)propan-2-yl] pentadecanoate (PubChem CID 59520968) has the molecular formula C19H38O5 and a molecular weight of 346.51 g/mol. Its IUPAC name is [(2R)-1-hydroxy-3-(hydroxymethoxy)propan-2-yl] pentadecanoate.

Molecular Properties

Compound Name[(2R)-1-hydroxy-3-(hydroxymethoxy)propan-2-yl] pentadecanoate
PubChem CID59520968
Molecular FormulaC19H38O5
Molecular Weight346.51 g/mol
Exact Mass346.27
IUPAC Name[(2R)-1-hydroxy-3-(hydroxymethoxy)propan-2-yl] pentadecanoate
SMILESCCCCCCCCCCCCCCC(=O)O[C@H](CO)COCO
InChIInChI=1S/C19H38O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19(22)24-18(15-20)16-23-17-21/h18,20-21H,2-17H2,1H3/t18-/m1/s1
InChIKeyLHNTUPDLDXSMSO-GOSISDBHSA-N
XLogP3.95
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.51
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(2S)-1-hydroxy-3-(hydroxymethoxy)propan-2-yl] hexadecanoate
CID 59520981
[(2R)-1-hydroxy-3-(hydroxymethoxy)propan-2-yl] tetradecanoate
CID 59520994
(1-dodecoxy-3-hydroxypropan-2-yl) tetradecanoate
CID 10367472
(1-dodecoxy-3-hydroxypropan-2-yl) decanoate
CID 86209450
(1-dodecoxy-3-hydroxypropan-2-yl) dodecanoate
CID 11102286
[(2S)-1-hydroxy-3-octadecanoyloxypropan-2-yl] tetracosanoate
CID 53478055
(1-hydroxy-3-octanoyloxypropan-2-yl) hexadecanoate
CID 54561107
[(2R)-2-hexanoyloxy-3-hydroxypropyl] hexadecanoate
CID 102241537
(1-heptanoyloxy-3-hydroxypropan-2-yl) octadecanoate
CID 138123365
(1-heptanoyloxy-3-hydroxypropan-2-yl) icosanoate
CID 138314263
[(2S)-1-hydroxy-3-octadecanoyloxypropan-2-yl] tricosanoate
CID 134782423
[(2S)-1-heptanoyloxy-3-hydroxypropan-2-yl] undecanoate
CID 154815628

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-hydroxy-3-(hydroxymethoxy)propan-2-yl] pentadecanoate?
The IUPAC name of [(2R)-1-hydroxy-3-(hydroxymethoxy)propan-2-yl] pentadecanoate (CID 59520968) is [(2R)-1-hydroxy-3-(hydroxymethoxy)propan-2-yl] pentadecanoate.
What is the SMILES notation for [(2R)-1-hydroxy-3-(hydroxymethoxy)propan-2-yl] pentadecanoate?
The canonical SMILES for [(2R)-1-hydroxy-3-(hydroxymethoxy)propan-2-yl] pentadecanoate is CCCCCCCCCCCCCCC(=O)O[C@H](CO)COCO.
What is the InChIKey of [(2R)-1-hydroxy-3-(hydroxymethoxy)propan-2-yl] pentadecanoate?
The InChIKey is LHNTUPDLDXSMSO-GOSISDBHSA-N. The full InChI is InChI=1S/C19H38O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19(22)24-18(15-20)16-23-17-21/h18,20-21H,2-17H2,1H3/t18-/m1/s1.
What are the key properties of [(2R)-1-hydroxy-3-(hydroxymethoxy)propan-2-yl] pentadecanoate?
[(2R)-1-hydroxy-3-(hydroxymethoxy)propan-2-yl] pentadecanoate has a molecular weight of 346.51 g/mol, XLogP of 3.95, 18 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-hydroxy-3-(hydroxymethoxy)propan-2-yl] pentadecanoate is sourced from PubChem (CID 59520968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).