[(2R)-2,3-dimethoxypropyl] dihydrogen phosphate

C5H13O6P — CID 118688296

IUPAC[(2R)-2,3-dimethoxypropyl] dihydrogen phosphate
SMILESCOC[C@H](COP(=O)(O)O)OC
InChIInChI=1S/C5H13O6P/c1-9-3-5(10-2)4-11-12(6,7)8/h5H,3-4H2,1-2H3,(H2,6,7,8)/t5-/m1/s1
InChIKeyJUUMLPWQPOUBNM-RXMQYKEDSA-N
MW200.13 g/mol
LogP-0.24
Rot. Bonds6

About [(2R)-2,3-dimethoxypropyl] dihydrogen phosphate

[(2R)-2,3-dimethoxypropyl] dihydrogen phosphate (PubChem CID 118688296) has the molecular formula C5H13O6P and a molecular weight of 200.13 g/mol. Its IUPAC name is [(2R)-2,3-dimethoxypropyl] dihydrogen phosphate.

Molecular Properties

Compound Name[(2R)-2,3-dimethoxypropyl] dihydrogen phosphate
PubChem CID118688296
Molecular FormulaC5H13O6P
Molecular Weight200.13 g/mol
Exact Mass200.04
IUPAC Name[(2R)-2,3-dimethoxypropyl] dihydrogen phosphate
SMILESCOC[C@H](COP(=O)(O)O)OC
InChIInChI=1S/C5H13O6P/c1-9-3-5(10-2)4-11-12(6,7)8/h5H,3-4H2,1-2H3,(H2,6,7,8)/t5-/m1/s1
InChIKeyJUUMLPWQPOUBNM-RXMQYKEDSA-N
XLogP-0.24
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.13
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3S)-2,3-dihydroxy-4-methoxybutyl] dihydrogen phosphate
CID 54421134
(2-methoxy-3-phosphonooxypropyl) butanoate
CID 59943573
CID 134970289
CID 134970289
(2-ethoxy-3-methoxypropyl) methyl hydrogen phosphate
CID 59083652
(2-ethynoxy-3-hydroxypropyl) dihydrogen phosphate
CID 163233183
[(2S)-2-aminopropyl] dihydrogen phosphate
CID 87075669
[(2R)-2-aminopropyl] dihydrogen phosphate
CID 91096185
(E)-1-[(2R)-2-methoxy-3-phosphonooxypropoxy]tetradec-1-en-1-olate
CID 71720889
(1-hydroxy-3-phosphonooxypropan-2-yl) 2-methylprop-2-enoate
CID 22259480
1,2,5,6-tetramethoxyhexane
CID 18679814
2-methoxyethyl phosphonooxymethyl carbonate
CID 175887543
2,3-dimethoxypropyl 2-aminoacetate
CID 163449313

Frequently Asked Questions

What is the IUPAC name of [(2R)-2,3-dimethoxypropyl] dihydrogen phosphate?
The IUPAC name of [(2R)-2,3-dimethoxypropyl] dihydrogen phosphate (CID 118688296) is [(2R)-2,3-dimethoxypropyl] dihydrogen phosphate.
What is the SMILES notation for [(2R)-2,3-dimethoxypropyl] dihydrogen phosphate?
The canonical SMILES for [(2R)-2,3-dimethoxypropyl] dihydrogen phosphate is COC[C@H](COP(=O)(O)O)OC.
What is the InChIKey of [(2R)-2,3-dimethoxypropyl] dihydrogen phosphate?
The InChIKey is JUUMLPWQPOUBNM-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H13O6P/c1-9-3-5(10-2)4-11-12(6,7)8/h5H,3-4H2,1-2H3,(H2,6,7,8)/t5-/m1/s1.
What are the key properties of [(2R)-2,3-dimethoxypropyl] dihydrogen phosphate?
[(2R)-2,3-dimethoxypropyl] dihydrogen phosphate has a molecular weight of 200.13 g/mol, XLogP of -0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2,3-dimethoxypropyl] dihydrogen phosphate is sourced from PubChem (CID 118688296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).