2,3-dihydroxypropyl dihydrogen phosphate;pentadecane-1,2-diol

C18H41O8P — CID 88646758

IUPAC2,3-dihydroxypropyl dihydrogen phosphate;pentadecane-1,2-diol
SMILESCCCCCCCCCCCCCC(O)CO.O=P(O)(O)OCC(O)CO
InChIInChI=1S/C15H32O2.C3H9O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(17)14-16;4-1-3(5)2-9-10(6,7)8/h15-17H,2-14H2,1H3;3-5H,1-2H2,(H2,6,7,8)
InChIKeyXKZDSSUBNIVYOM-UHFFFAOYSA-N
MW416.49 g/mol
LogP2.49
Rot. Bonds17

About 2,3-dihydroxypropyl dihydrogen phosphate;pentadecane-1,2-diol

2,3-dihydroxypropyl dihydrogen phosphate;pentadecane-1,2-diol (PubChem CID 88646758) has the molecular formula C18H41O8P and a molecular weight of 416.49 g/mol. Its IUPAC name is 2,3-dihydroxypropyl dihydrogen phosphate;pentadecane-1,2-diol.

Molecular Properties

Compound Name2,3-dihydroxypropyl dihydrogen phosphate;pentadecane-1,2-diol
PubChem CID88646758
Molecular FormulaC18H41O8P
Molecular Weight416.49 g/mol
Exact Mass416.25
IUPAC Name2,3-dihydroxypropyl dihydrogen phosphate;pentadecane-1,2-diol
SMILESCCCCCCCCCCCCCC(O)CO.O=P(O)(O)OCC(O)CO
InChIInChI=1S/C15H32O2.C3H9O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(17)14-16;4-1-3(5)2-9-10(6,7)8/h15-17H,2-14H2,1H3;3-5H,1-2H2,(H2,6,7,8)
InChIKeyXKZDSSUBNIVYOM-UHFFFAOYSA-N
XLogP2.49
TPSA147.68 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.49
LogP ≤ 52.49
H-Bond Donors ≤ 56
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

2,3-dihydroxypropyl dihydrogen phosphate;hydrate
CID 88718153
2,3-dihydroxypropyl dihydrogen phosphate;zinc
CID 88760413
(2R)-nonadecane-1,2-diol
CID 124511707
(2R)-octane-1,2-diol
CID 6994435
(2R)-decane-1,2-diol
CID 10888425
octane-1,2-diol
CID 159791136
triacontane-1,2-diol
CID 19770548
tricosane-1,2-diol
CID 42607324
trimagnesium;2,3-dihydroxypropyl dihydrogen phosphate;hydride
CID 174390583
CID 158891282
CID 158891282
3-(2,3-dihydroxypropoxy)propane-1,2-diol;hexadecane;icosan-9-ol
CID 174724990
(2S)-3-[(2R)-2-hydroxynonadecoxy]propane-1,2-diol
CID 137323866

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl dihydrogen phosphate;pentadecane-1,2-diol?
The IUPAC name of 2,3-dihydroxypropyl dihydrogen phosphate;pentadecane-1,2-diol (CID 88646758) is 2,3-dihydroxypropyl dihydrogen phosphate;pentadecane-1,2-diol.
What is the SMILES notation for 2,3-dihydroxypropyl dihydrogen phosphate;pentadecane-1,2-diol?
The canonical SMILES for 2,3-dihydroxypropyl dihydrogen phosphate;pentadecane-1,2-diol is CCCCCCCCCCCCCC(O)CO.O=P(O)(O)OCC(O)CO.
What is the InChIKey of 2,3-dihydroxypropyl dihydrogen phosphate;pentadecane-1,2-diol?
The InChIKey is XKZDSSUBNIVYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O2.C3H9O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(17)14-16;4-1-3(5)2-9-10(6,7)8/h15-17H,2-14H2,1H3;3-5H,1-2H2,(H2,6,7,8).
What are the key properties of 2,3-dihydroxypropyl dihydrogen phosphate;pentadecane-1,2-diol?
2,3-dihydroxypropyl dihydrogen phosphate;pentadecane-1,2-diol has a molecular weight of 416.49 g/mol, XLogP of 2.49, 17 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl dihydrogen phosphate;pentadecane-1,2-diol is sourced from PubChem (CID 88646758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).