sodium [(2R)-2-hydroxy-3-tetradecanoyloxypropyl] hydrogen phosphate

C17H34NaO7P — CID 101184897

IUPACsodium [(2R)-2-hydroxy-3-tetradecanoyloxypropyl] hydrogen phosphate
SMILESCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])O.[Na+]
InChIInChI=1S/C17H35O7P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(19)23-14-16(18)15-24-25(20,21)22;/h16,18H,2-15H2,1H3,(H2,20,21,22);/q;+1/p-1/t16-;/m1./s1
InChIKeyHGENTPHNTSLRPB-PKLMIRHRSA-M
MW404.42 g/mol
LogP0.07
Rot. Bonds17

About sodium [(2R)-2-hydroxy-3-tetradecanoyloxypropyl] hydrogen phosphate

sodium [(2R)-2-hydroxy-3-tetradecanoyloxypropyl] hydrogen phosphate (PubChem CID 101184897) has the molecular formula C17H34NaO7P and a molecular weight of 404.42 g/mol. Its IUPAC name is sodium [(2R)-2-hydroxy-3-tetradecanoyloxypropyl] hydrogen phosphate.

Molecular Properties

Compound Namesodium [(2R)-2-hydroxy-3-tetradecanoyloxypropyl] hydrogen phosphate
PubChem CID101184897
Molecular FormulaC17H34NaO7P
Molecular Weight404.42 g/mol
Exact Mass404.19
IUPAC Namesodium [(2R)-2-hydroxy-3-tetradecanoyloxypropyl] hydrogen phosphate
SMILESCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])O.[Na+]
InChIInChI=1S/C17H35O7P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(19)23-14-16(18)15-24-25(20,21)22;/h16,18H,2-15H2,1H3,(H2,20,21,22);/q;+1/p-1/t16-;/m1./s1
InChIKeyHGENTPHNTSLRPB-PKLMIRHRSA-M
XLogP0.07
TPSA116.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 50.07
H-Bond Donors ≤ 52
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

sodium [(2R)-2-hydroxy-3-octadecanoyloxypropyl] hydrogen phosphate
CID 101184896
[(2R)-2-hydroxy-3-tetradecanoyloxypropyl] phosphate
CID 71296162
azanium [(2R)-3-[(Z)-heptadec-9-enoyl]oxy-2-hydroxypropyl] hydrogen phosphate
CID 5283532
[2-hydroxy-3-[hydroxy-[2-hydroxy-3-[hydroxy-(2-hydroxy-3-octadecanoyloxypropoxy)phosphoryl]oxypropoxy]phosphoryl]oxypropyl] tetracosanoate
CID 165275592
disodium;(3-dodecanoyloxy-2-hydroxypropyl) phosphate;propane-1,2,3-triol
CID 174684691
azane;[2-hydroxy-3-[hydroxy-(2-hydroxy-3-tetradecanoyloxypropoxy)phosphoryl]oxypropyl] tetradecanoate
CID 131675299
[(2R)-3-[(E)-hexadec-9-enoyl]oxy-2-hydroxypropyl] phosphate
CID 146036944
[(2R)-2-hydroxy-3-[(E)-octadec-11-enoyl]oxypropyl] phosphate
CID 129320279
[(2S)-2,3-dihydroxypropyl] [(2R)-2-hydroxy-3-octadecanoyloxypropyl] phosphate
CID 71296221
2,3-dihydroxypropyl [(2R)-3-hexadecanoyloxy-2-hydroxypropyl] phosphate
CID 86583415
[(2S)-3-decanoyloxy-2-hydroxypropyl] nonadecanoate
CID 131799324
[(2S)-2-hydroxy-3-pentadecanoyloxypropyl] icosanoate
CID 131802658

Frequently Asked Questions

What is the IUPAC name of sodium [(2R)-2-hydroxy-3-tetradecanoyloxypropyl] hydrogen phosphate?
The IUPAC name of sodium [(2R)-2-hydroxy-3-tetradecanoyloxypropyl] hydrogen phosphate (CID 101184897) is sodium [(2R)-2-hydroxy-3-tetradecanoyloxypropyl] hydrogen phosphate.
What is the SMILES notation for sodium [(2R)-2-hydroxy-3-tetradecanoyloxypropyl] hydrogen phosphate?
The canonical SMILES for sodium [(2R)-2-hydroxy-3-tetradecanoyloxypropyl] hydrogen phosphate is CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])O.[Na+].
What is the InChIKey of sodium [(2R)-2-hydroxy-3-tetradecanoyloxypropyl] hydrogen phosphate?
The InChIKey is HGENTPHNTSLRPB-PKLMIRHRSA-M. The full InChI is InChI=1S/C17H35O7P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(19)23-14-16(18)15-24-25(20,21)22;/h16,18H,2-15H2,1H3,(H2,20,21,22);/q;+1/p-1/t16-;/m1./s1.
What are the key properties of sodium [(2R)-2-hydroxy-3-tetradecanoyloxypropyl] hydrogen phosphate?
sodium [(2R)-2-hydroxy-3-tetradecanoyloxypropyl] hydrogen phosphate has a molecular weight of 404.42 g/mol, XLogP of 0.07, 17 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium [(2R)-2-hydroxy-3-tetradecanoyloxypropyl] hydrogen phosphate is sourced from PubChem (CID 101184897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).