2,3-dihydroxypropyl 2-tetradecoxyethyl hydrogen phosphate

C19H41O7P — CID 118891613

IUPAC2,3-dihydroxypropyl 2-tetradecoxyethyl hydrogen phosphate
SMILESCCCCCCCCCCCCCCOCCOP(=O)(O)OCC(O)CO
InChIInChI=1S/C19H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-24-15-16-25-27(22,23)26-18-19(21)17-20/h19-21H,2-18H2,1H3,(H,22,23)
InChIKeyFNYMDYIDPOQKQK-UHFFFAOYSA-N
MW412.50 g/mol
LogP4.19
Rot. Bonds21

About 2,3-dihydroxypropyl 2-tetradecoxyethyl hydrogen phosphate

2,3-dihydroxypropyl 2-tetradecoxyethyl hydrogen phosphate (PubChem CID 118891613) has the molecular formula C19H41O7P and a molecular weight of 412.50 g/mol. Its IUPAC name is 2,3-dihydroxypropyl 2-tetradecoxyethyl hydrogen phosphate.

Molecular Properties

Compound Name2,3-dihydroxypropyl 2-tetradecoxyethyl hydrogen phosphate
PubChem CID118891613
Molecular FormulaC19H41O7P
Molecular Weight412.50 g/mol
Exact Mass412.26
IUPAC Name2,3-dihydroxypropyl 2-tetradecoxyethyl hydrogen phosphate
SMILESCCCCCCCCCCCCCCOCCOP(=O)(O)OCC(O)CO
InChIInChI=1S/C19H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-24-15-16-25-27(22,23)26-18-19(21)17-20/h19-21H,2-18H2,1H3,(H,22,23)
InChIKeyFNYMDYIDPOQKQK-UHFFFAOYSA-N
XLogP4.19
TPSA105.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-2,3-dihydroxypropyl] [(2R)-2-hydroxy-3-icosoxypropyl] hydrogen phosphate
CID 52927460
2,3-dihydroxypropyl (2-hydroxy-3-icosoxypropyl) hydrogen phosphate
CID 75960345
bis(2-decoxyethyl) hydrogen phosphate
CID 13261719
bis(2-octadecoxyethyl) hydrogen phosphate
CID 57299614
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-hexacosoxypropan-2-yl] pentadecanoate
CID 165317194
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-dodecoxypropan-2-yl] tetracosanoate
CID 165332163
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-tetradecoxypropan-2-yl] tridecanoate
CID 165286433
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-pentacosoxypropan-2-yl] hexadecanoate
CID 165232909
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-heptadecoxypropan-2-yl] heptadecanoate
CID 165251242
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-hexadecoxypropan-2-yl] docosanoate
CID 75960225
2,3-dihydroxypropyl [2-hydroxy-3-[(13Z,16Z)-tetracosa-13,16-dienoxy]propyl] hydrogen phosphate
CID 165219064
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-tetracosoxypropan-2-yl] decanoate
CID 165310978

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl 2-tetradecoxyethyl hydrogen phosphate?
The IUPAC name of 2,3-dihydroxypropyl 2-tetradecoxyethyl hydrogen phosphate (CID 118891613) is 2,3-dihydroxypropyl 2-tetradecoxyethyl hydrogen phosphate.
What is the SMILES notation for 2,3-dihydroxypropyl 2-tetradecoxyethyl hydrogen phosphate?
The canonical SMILES for 2,3-dihydroxypropyl 2-tetradecoxyethyl hydrogen phosphate is CCCCCCCCCCCCCCOCCOP(=O)(O)OCC(O)CO.
What is the InChIKey of 2,3-dihydroxypropyl 2-tetradecoxyethyl hydrogen phosphate?
The InChIKey is FNYMDYIDPOQKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-24-15-16-25-27(22,23)26-18-19(21)17-20/h19-21H,2-18H2,1H3,(H,22,23).
What are the key properties of 2,3-dihydroxypropyl 2-tetradecoxyethyl hydrogen phosphate?
2,3-dihydroxypropyl 2-tetradecoxyethyl hydrogen phosphate has a molecular weight of 412.50 g/mol, XLogP of 4.19, 21 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl 2-tetradecoxyethyl hydrogen phosphate is sourced from PubChem (CID 118891613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).