2-aminoethyl [(2R)-3-dodecoxy-2-hydroxypropyl] hydrogen phosphate

C17H38NO6P — CID 163410356

IUPAC2-aminoethyl [(2R)-3-dodecoxy-2-hydroxypropyl] hydrogen phosphate
SMILESCCCCCCCCCCCCOC[C@@H](O)COP(=O)(O)OCCN
InChIInChI=1S/C17H38NO6P/c1-2-3-4-5-6-7-8-9-10-11-13-22-15-17(19)16-24-25(20,21)23-14-12-18/h17,19H,2-16,18H2,1H3,(H,20,21)/t17-/m1/s1
InChIKeyZUVNFCWZWSEVGX-QGZVFWFLSA-N
MW383.47 g/mol
LogP3.38
Rot. Bonds19

About 2-aminoethyl [(2R)-3-dodecoxy-2-hydroxypropyl] hydrogen phosphate

2-aminoethyl [(2R)-3-dodecoxy-2-hydroxypropyl] hydrogen phosphate (PubChem CID 163410356) has the molecular formula C17H38NO6P and a molecular weight of 383.47 g/mol. Its IUPAC name is 2-aminoethyl [(2R)-3-dodecoxy-2-hydroxypropyl] hydrogen phosphate.

Molecular Properties

Compound Name2-aminoethyl [(2R)-3-dodecoxy-2-hydroxypropyl] hydrogen phosphate
PubChem CID163410356
Molecular FormulaC17H38NO6P
Molecular Weight383.47 g/mol
Exact Mass383.24
IUPAC Name2-aminoethyl [(2R)-3-dodecoxy-2-hydroxypropyl] hydrogen phosphate
SMILESCCCCCCCCCCCCOC[C@@H](O)COP(=O)(O)OCCN
InChIInChI=1S/C17H38NO6P/c1-2-3-4-5-6-7-8-9-10-11-13-22-15-17(19)16-24-25(20,21)23-14-12-18/h17,19H,2-16,18H2,1H3,(H,20,21)/t17-/m1/s1
InChIKeyZUVNFCWZWSEVGX-QGZVFWFLSA-N
XLogP3.38
TPSA111.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.38
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

2-aminoethyl [(2R)-3-[(Z)-docos-13-enoxy]-2-hydroxypropyl] hydrogen phosphate
CID 90676516
2-aminoethyl (3-hexadecoxy-2-methoxypropyl) hydrogen phosphate
CID 24802202
[(2S)-2,3-dihydroxypropyl] [(2R)-2-hydroxy-3-icosoxypropyl] hydrogen phosphate
CID 52927460
2,3-dihydroxypropyl (2-hydroxy-3-icosoxypropyl) hydrogen phosphate
CID 75960345
2-aminoethyl 2,3-dihexadecoxypropyl hydrogen phosphate
CID 4124837
2-aminoethyl 2,3-didecoxypropyl hydrogen phosphate
CID 175554203
[2-hydroxy-3-(3-trimethoxysilylpropoxy)propyl] octadecyl hydrogen phosphate
CID 132837995
14-[hydroxy-(2-hydroxy-3-octadecoxypropoxy)phosphoryl]oxytetradecyl-trimethylazanium
CID 14376333
[3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] nonadecanoate
CID 75958075
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] icosanoate
CID 52925131
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hexadecoxypropan-2-yl] acetate
CID 86289571
ethane;(3-heptadecoxy-2-hydroxypropyl) dihydrogen phosphate
CID 159833302

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl [(2R)-3-dodecoxy-2-hydroxypropyl] hydrogen phosphate?
The IUPAC name of 2-aminoethyl [(2R)-3-dodecoxy-2-hydroxypropyl] hydrogen phosphate (CID 163410356) is 2-aminoethyl [(2R)-3-dodecoxy-2-hydroxypropyl] hydrogen phosphate.
What is the SMILES notation for 2-aminoethyl [(2R)-3-dodecoxy-2-hydroxypropyl] hydrogen phosphate?
The canonical SMILES for 2-aminoethyl [(2R)-3-dodecoxy-2-hydroxypropyl] hydrogen phosphate is CCCCCCCCCCCCOC[C@@H](O)COP(=O)(O)OCCN.
What is the InChIKey of 2-aminoethyl [(2R)-3-dodecoxy-2-hydroxypropyl] hydrogen phosphate?
The InChIKey is ZUVNFCWZWSEVGX-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H38NO6P/c1-2-3-4-5-6-7-8-9-10-11-13-22-15-17(19)16-24-25(20,21)23-14-12-18/h17,19H,2-16,18H2,1H3,(H,20,21)/t17-/m1/s1.
What are the key properties of 2-aminoethyl [(2R)-3-dodecoxy-2-hydroxypropyl] hydrogen phosphate?
2-aminoethyl [(2R)-3-dodecoxy-2-hydroxypropyl] hydrogen phosphate has a molecular weight of 383.47 g/mol, XLogP of 3.38, 19 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl [(2R)-3-dodecoxy-2-hydroxypropyl] hydrogen phosphate is sourced from PubChem (CID 163410356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).