[(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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Related Compounds

[(2R,3R,4R,5S)-2,3,4,5-tetraacetyloxy-6-methoxyhexyl] acetate
CID 91751656
[(2R,3S,4R,5S)-4,5-diacetyloxy-2,3-dimethoxyhexyl] acetate
CID 175639897
(2,4-diacetyloxy-3,5-dimethoxypentyl) acetate
CID 539466
[(2S,3S,4R,5S,6R,7S)-2,3,4,5,6,7,8-heptaacetyloxyoctyl] acetate
CID 10907981
[(3S,4R)-3,4,5-triacetyloxy-2-(1-acetyloxyethoxy)pentyl] acetate
CID 89319583
[(2R,3R,4R,5S)-2,3,5,6-tetraacetyloxy-4-fluorohexyl] acetate
CID 22216924
[(2R,3S,4R)-3,4,5-triacetyloxy-2-methylpentyl] acetate
CID 11723388
[3-acetyloxy-2-[(2S)-2,3-diacetyloxy-1-[2-(trimethyl-λ4-sulfanyl)ethoxy]propoxy]butyl] acetate
CID 145311587
(3,4-diacetyloxy-2-ethenoxypentyl) acetate
CID 123279901
[(2R,3R,4S,5R)-2,3,4,5,6,6-hexaacetyloxyhexyl] acetate
CID 2728799
[(3S)-3-acetyloxy-2-[(1R,2R)-2,3-diacetyloxy-1-bromopropoxy]butyl] acetate
CID 126706951
[(2R,3S,4R,7R,8S,9R)-2,3,4,7,8,9,10-heptaacetyloxydecyl] acetate
CID 101457438

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).