[(2R)-2-acetyloxy-3-[(2S,4S)-4-acetyloxy-2-fluoro-1-methoxypentan-3-yl]oxy-3-phosphorosooxypropyl] acetate

C15H24FO10P — CID 174020737

IUPAC[(2R)-2-acetyloxy-3-[(2S,4S)-4-acetyloxy-2-fluoro-1-methoxypentan-3-yl]oxy-3-phosphorosooxypropyl] acetate
SMILESCOC[C@H](F)C(OC(OP=O)[C@@H](COC(C)=O)OC(C)=O)[C@H](C)OC(C)=O
InChIInChI=1S/C15H24FO10P/c1-8(23-10(3)18)14(12(16)6-21-5)25-15(26-27-20)13(24-11(4)19)7-22-9(2)17/h8,12-15H,6-7H2,1-5H3/t8-,12-,13+,14?,15?/m0/s1
InChIKeyXONZWVZWALKUMS-GBPNWZPQSA-N
MW414.32 g/mol
LogP1.35
Rot. Bonds13

About [(2R)-2-acetyloxy-3-[(2S,4S)-4-acetyloxy-2-fluoro-1-methoxypentan-3-yl]oxy-3-phosphorosooxypropyl] acetate

[(2R)-2-acetyloxy-3-[(2S,4S)-4-acetyloxy-2-fluoro-1-methoxypentan-3-yl]oxy-3-phosphorosooxypropyl] acetate (PubChem CID 174020737) has the molecular formula C15H24FO10P and a molecular weight of 414.32 g/mol. Its IUPAC name is [(2R)-2-acetyloxy-3-[(2S,4S)-4-acetyloxy-2-fluoro-1-methoxypentan-3-yl]oxy-3-phosphorosooxypropyl] acetate.

Molecular Properties

Compound Name[(2R)-2-acetyloxy-3-[(2S,4S)-4-acetyloxy-2-fluoro-1-methoxypentan-3-yl]oxy-3-phosphorosooxypropyl] acetate
PubChem CID174020737
Molecular FormulaC15H24FO10P
Molecular Weight414.32 g/mol
Exact Mass414.11
IUPAC Name[(2R)-2-acetyloxy-3-[(2S,4S)-4-acetyloxy-2-fluoro-1-methoxypentan-3-yl]oxy-3-phosphorosooxypropyl] acetate
SMILESCOC[C@H](F)C(OC(OP=O)[C@@H](COC(C)=O)OC(C)=O)[C@H](C)OC(C)=O
InChIInChI=1S/C15H24FO10P/c1-8(23-10(3)18)14(12(16)6-21-5)25-15(26-27-20)13(24-11(4)19)7-22-9(2)17/h8,12-15H,6-7H2,1-5H3/t8-,12-,13+,14?,15?/m0/s1
InChIKeyXONZWVZWALKUMS-GBPNWZPQSA-N
XLogP1.35
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.32
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-acetyloxy-3-[(2S,4S)-4-acetyloxy-2-fluoro-1-methoxypentan-3-yl]oxy-3-phosphorosooxypropyl] acetate?
The IUPAC name of [(2R)-2-acetyloxy-3-[(2S,4S)-4-acetyloxy-2-fluoro-1-methoxypentan-3-yl]oxy-3-phosphorosooxypropyl] acetate (CID 174020737) is [(2R)-2-acetyloxy-3-[(2S,4S)-4-acetyloxy-2-fluoro-1-methoxypentan-3-yl]oxy-3-phosphorosooxypropyl] acetate.
What is the SMILES notation for [(2R)-2-acetyloxy-3-[(2S,4S)-4-acetyloxy-2-fluoro-1-methoxypentan-3-yl]oxy-3-phosphorosooxypropyl] acetate?
The canonical SMILES for [(2R)-2-acetyloxy-3-[(2S,4S)-4-acetyloxy-2-fluoro-1-methoxypentan-3-yl]oxy-3-phosphorosooxypropyl] acetate is COC[C@H](F)C(OC(OP=O)[C@@H](COC(C)=O)OC(C)=O)[C@H](C)OC(C)=O.
What is the InChIKey of [(2R)-2-acetyloxy-3-[(2S,4S)-4-acetyloxy-2-fluoro-1-methoxypentan-3-yl]oxy-3-phosphorosooxypropyl] acetate?
The InChIKey is XONZWVZWALKUMS-GBPNWZPQSA-N. The full InChI is InChI=1S/C15H24FO10P/c1-8(23-10(3)18)14(12(16)6-21-5)25-15(26-27-20)13(24-11(4)19)7-22-9(2)17/h8,12-15H,6-7H2,1-5H3/t8-,12-,13+,14?,15?/m0/s1.
What are the key properties of [(2R)-2-acetyloxy-3-[(2S,4S)-4-acetyloxy-2-fluoro-1-methoxypentan-3-yl]oxy-3-phosphorosooxypropyl] acetate?
[(2R)-2-acetyloxy-3-[(2S,4S)-4-acetyloxy-2-fluoro-1-methoxypentan-3-yl]oxy-3-phosphorosooxypropyl] acetate has a molecular weight of 414.32 g/mol, XLogP of 1.35, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-acetyloxy-3-[(2S,4S)-4-acetyloxy-2-fluoro-1-methoxypentan-3-yl]oxy-3-phosphorosooxypropyl] acetate is sourced from PubChem (CID 174020737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).