[(2R)-2,3-dihydroxypropyl] 1-(trimethylazaniumyl)propan-2-yl phosphate

C9H22NO6P — CID 172836659

IUPAC[(2R)-2,3-dihydroxypropyl] 1-(trimethylazaniumyl)propan-2-yl phosphate
SMILESCC(C[N+](C)(C)C)OP(=O)([O-])OC[C@H](O)CO
InChIInChI=1S/C9H22NO6P/c1-8(5-10(2,3)4)16-17(13,14)15-7-9(12)6-11/h8-9,11-12H,5-7H2,1-4H3/t8?,9-/m1/s1
InChIKeyWFVSBDGYBPIUTK-YGPZHTELSA-N
MW271.25 g/mol
LogP-1.06
Rot. Bonds8

About [(2R)-2,3-dihydroxypropyl] 1-(trimethylazaniumyl)propan-2-yl phosphate

[(2R)-2,3-dihydroxypropyl] 1-(trimethylazaniumyl)propan-2-yl phosphate (PubChem CID 172836659) has the molecular formula C9H22NO6P and a molecular weight of 271.25 g/mol. Its IUPAC name is [(2R)-2,3-dihydroxypropyl] 1-(trimethylazaniumyl)propan-2-yl phosphate.

Molecular Properties

Compound Name[(2R)-2,3-dihydroxypropyl] 1-(trimethylazaniumyl)propan-2-yl phosphate
PubChem CID172836659
Molecular FormulaC9H22NO6P
Molecular Weight271.25 g/mol
Exact Mass271.12
IUPAC Name[(2R)-2,3-dihydroxypropyl] 1-(trimethylazaniumyl)propan-2-yl phosphate
SMILESCC(C[N+](C)(C)C)OP(=O)([O-])OC[C@H](O)CO
InChIInChI=1S/C9H22NO6P/c1-8(5-10(2,3)4)16-17(13,14)15-7-9(12)6-11/h8-9,11-12H,5-7H2,1-4H3/t8?,9-/m1/s1
InChIKeyWFVSBDGYBPIUTK-YGPZHTELSA-N
XLogP-1.06
TPSA99.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

[(2R)-2,3-dihydroxypropyl] 1-(trimethylazaniumyl)octan-2-yl phosphate
CID 172699955
[(2R)-2,3-dihydroxypropyl] [3,11-dioxo-1-(trimethylazaniumyl)undecan-2-yl] phosphate
CID 172861182
chloro 2,3-dihydroxypropyl phosphate
CID 22670557
disodium;[(2R)-2,3-dihydroxypropyl] phosphate
CID 73416363
CID 175855975
CID 175855975
[(2S)-2,3-dihydroxypropyl] phosphate
CID 7048685
[(2R)-2,3-dihydroxypropyl] [3-heptyl-4,5-dioxo-3-propyl-1-(trimethylazaniumyl)docosan-2-yl] phosphate
CID 172801617
[3-carboxy-2-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropyl]-trimethylazanium
CID 87778117
dipotassium;2,3-dihydroxypropyl phosphate;trihydrate
CID 23617466
potassium 2,3-dihydroxypropyl hydrogen phosphate
CID 23691990
2,3-dihydroxypropyl dihydrogen phosphate;2-hydroxyethyl(trimethyl)azanium
CID 87187110
[3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] [(2R)-2,3-dihydroxypropyl] hydrogen phosphate
CID 54575234

Frequently Asked Questions

What is the IUPAC name of [(2R)-2,3-dihydroxypropyl] 1-(trimethylazaniumyl)propan-2-yl phosphate?
The IUPAC name of [(2R)-2,3-dihydroxypropyl] 1-(trimethylazaniumyl)propan-2-yl phosphate (CID 172836659) is [(2R)-2,3-dihydroxypropyl] 1-(trimethylazaniumyl)propan-2-yl phosphate.
What is the SMILES notation for [(2R)-2,3-dihydroxypropyl] 1-(trimethylazaniumyl)propan-2-yl phosphate?
The canonical SMILES for [(2R)-2,3-dihydroxypropyl] 1-(trimethylazaniumyl)propan-2-yl phosphate is CC(C[N+](C)(C)C)OP(=O)([O-])OC[C@H](O)CO.
What is the InChIKey of [(2R)-2,3-dihydroxypropyl] 1-(trimethylazaniumyl)propan-2-yl phosphate?
The InChIKey is WFVSBDGYBPIUTK-YGPZHTELSA-N. The full InChI is InChI=1S/C9H22NO6P/c1-8(5-10(2,3)4)16-17(13,14)15-7-9(12)6-11/h8-9,11-12H,5-7H2,1-4H3/t8?,9-/m1/s1.
What are the key properties of [(2R)-2,3-dihydroxypropyl] 1-(trimethylazaniumyl)propan-2-yl phosphate?
[(2R)-2,3-dihydroxypropyl] 1-(trimethylazaniumyl)propan-2-yl phosphate has a molecular weight of 271.25 g/mol, XLogP of -1.06, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2,3-dihydroxypropyl] 1-(trimethylazaniumyl)propan-2-yl phosphate is sourced from PubChem (CID 172836659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).