[(2S)-2,3-dihydroxypropyl] [(2R)-2,3-dimethoxypropyl] hydrogen phosphate

C8H19O8P — CID 146171245

IUPAC[(2S)-2,3-dihydroxypropyl] [(2R)-2,3-dimethoxypropyl] hydrogen phosphate
SMILESCOC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC
InChIInChI=1S/C8H19O8P/c1-13-5-8(14-2)6-16-17(11,12)15-4-7(10)3-9/h7-10H,3-6H2,1-2H3,(H,11,12)/t7-,8+/m0/s1
InChIKeyHHLLPXQCSSNFBM-JGVFFNPUSA-N
MW274.21 g/mol
LogP-0.87
Rot. Bonds10

About [(2S)-2,3-dihydroxypropyl] [(2R)-2,3-dimethoxypropyl] hydrogen phosphate

[(2S)-2,3-dihydroxypropyl] [(2R)-2,3-dimethoxypropyl] hydrogen phosphate (PubChem CID 146171245) has the molecular formula C8H19O8P and a molecular weight of 274.21 g/mol. Its IUPAC name is [(2S)-2,3-dihydroxypropyl] [(2R)-2,3-dimethoxypropyl] hydrogen phosphate.

Molecular Properties

Compound Name[(2S)-2,3-dihydroxypropyl] [(2R)-2,3-dimethoxypropyl] hydrogen phosphate
PubChem CID146171245
Molecular FormulaC8H19O8P
Molecular Weight274.21 g/mol
Exact Mass274.08
IUPAC Name[(2S)-2,3-dihydroxypropyl] [(2R)-2,3-dimethoxypropyl] hydrogen phosphate
SMILESCOC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC
InChIInChI=1S/C8H19O8P/c1-13-5-8(14-2)6-16-17(11,12)15-4-7(10)3-9/h7-10H,3-6H2,1-2H3,(H,11,12)/t7-,8+/m0/s1
InChIKeyHHLLPXQCSSNFBM-JGVFFNPUSA-N
XLogP-0.87
TPSA114.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.21
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2,3-dihydroxypropyl] [(2R)-2,3-dimethoxypropyl] hydrogen phosphate?
The IUPAC name of [(2S)-2,3-dihydroxypropyl] [(2R)-2,3-dimethoxypropyl] hydrogen phosphate (CID 146171245) is [(2S)-2,3-dihydroxypropyl] [(2R)-2,3-dimethoxypropyl] hydrogen phosphate.
What is the SMILES notation for [(2S)-2,3-dihydroxypropyl] [(2R)-2,3-dimethoxypropyl] hydrogen phosphate?
The canonical SMILES for [(2S)-2,3-dihydroxypropyl] [(2R)-2,3-dimethoxypropyl] hydrogen phosphate is COC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC.
What is the InChIKey of [(2S)-2,3-dihydroxypropyl] [(2R)-2,3-dimethoxypropyl] hydrogen phosphate?
The InChIKey is HHLLPXQCSSNFBM-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H19O8P/c1-13-5-8(14-2)6-16-17(11,12)15-4-7(10)3-9/h7-10H,3-6H2,1-2H3,(H,11,12)/t7-,8+/m0/s1.
What are the key properties of [(2S)-2,3-dihydroxypropyl] [(2R)-2,3-dimethoxypropyl] hydrogen phosphate?
[(2S)-2,3-dihydroxypropyl] [(2R)-2,3-dimethoxypropyl] hydrogen phosphate has a molecular weight of 274.21 g/mol, XLogP of -0.87, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2,3-dihydroxypropyl] [(2R)-2,3-dimethoxypropyl] hydrogen phosphate is sourced from PubChem (CID 146171245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).