N-[(2S,4S,5S)-4-fluoro-2-(methoxymethyl)-5-methyloxolan-3-yl]-methylphosphonamidic acid

C8H17FNO4P — CID 174097852

IUPACN-[(2S,4S,5S)-4-fluoro-2-(methoxymethyl)-5-methyloxolan-3-yl]-methylphosphonamidic acid
SMILESCOC[C@H]1O[C@@H](C)[C@@H](F)C1NP(C)(=O)O
InChIInChI=1S/C8H17FNO4P/c1-5-7(9)8(10-15(3,11)12)6(14-5)4-13-2/h5-8H,4H2,1-3H3,(H2,10,11,12)/t5-,6+,7+,8?/m0/s1
InChIKeyUXYMYCOZEYBKQN-FWYCZPIQSA-N
MW241.20 g/mol
LogP0.53
Rot. Bonds4

About N-[(2S,4S,5S)-4-fluoro-2-(methoxymethyl)-5-methyloxolan-3-yl]-methylphosphonamidic acid

N-[(2S,4S,5S)-4-fluoro-2-(methoxymethyl)-5-methyloxolan-3-yl]-methylphosphonamidic acid (PubChem CID 174097852) has the molecular formula C8H17FNO4P and a molecular weight of 241.20 g/mol. Its IUPAC name is N-[(2S,4S,5S)-4-fluoro-2-(methoxymethyl)-5-methyloxolan-3-yl]-methylphosphonamidic acid.

Molecular Properties

Compound NameN-[(2S,4S,5S)-4-fluoro-2-(methoxymethyl)-5-methyloxolan-3-yl]-methylphosphonamidic acid
PubChem CID174097852
Molecular FormulaC8H17FNO4P
Molecular Weight241.20 g/mol
Exact Mass241.09
IUPAC NameN-[(2S,4S,5S)-4-fluoro-2-(methoxymethyl)-5-methyloxolan-3-yl]-methylphosphonamidic acid
SMILESCOC[C@H]1O[C@@H](C)[C@@H](F)C1NP(C)(=O)O
InChIInChI=1S/C8H17FNO4P/c1-5-7(9)8(10-15(3,11)12)6(14-5)4-13-2/h5-8H,4H2,1-3H3,(H2,10,11,12)/t5-,6+,7+,8?/m0/s1
InChIKeyUXYMYCOZEYBKQN-FWYCZPIQSA-N
XLogP0.53
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 59264388
CID 59264388
(2R,4R,5S)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxolane;(2S,3R,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-ol
CID 158901361
(2R,3S,5S)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxolane;(2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-ol
CID 158901360
[[(3S,4S)-5-fluoro-3,4-dihydroxy-6-methyloxan-2-yl]methylamino]phosphonic acid
CID 171771244
[2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-methylphosphinic acid
CID 21029752
2-(methoxymethyl)-3,4,5-trimethyloxolane
CID 21349670
[(2R,3R,4R)-4-fluoro-2-(methoxycarbonyloxymethyl)-5-methyloxolan-3-yl] methyl carbonate
CID 146406641
(2R,4R,5R)-3,4-dimethoxy-2-(methoxymethyl)-5-methyloxolane
CID 174068913
[(2R,3S,4S,5S)-4-hydroxy-3-methoxy-5-methyloxolan-2-yl]methoxy-methylphosphinic acid
CID 158256198
hydroxy-[[(2S,3R,5S)-2-(methoxymethyl)-5-methyloxolan-3-yl]methyl]-methyl-sulfanylidene-λ5-phosphane
CID 58592407
hydroxy-methoxy-[(2R,4R,5S)-4-methoxy-2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-sulfanylidene-λ5-phosphane
CID 88878251
2-amino-N-[(4R,5R)-4,5-dimethoxy-6-(methoxymethyl)-2-methyloxan-3-yl]acetamide
CID 58679026

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4S,5S)-4-fluoro-2-(methoxymethyl)-5-methyloxolan-3-yl]-methylphosphonamidic acid?
The IUPAC name of N-[(2S,4S,5S)-4-fluoro-2-(methoxymethyl)-5-methyloxolan-3-yl]-methylphosphonamidic acid (CID 174097852) is N-[(2S,4S,5S)-4-fluoro-2-(methoxymethyl)-5-methyloxolan-3-yl]-methylphosphonamidic acid.
What is the SMILES notation for N-[(2S,4S,5S)-4-fluoro-2-(methoxymethyl)-5-methyloxolan-3-yl]-methylphosphonamidic acid?
The canonical SMILES for N-[(2S,4S,5S)-4-fluoro-2-(methoxymethyl)-5-methyloxolan-3-yl]-methylphosphonamidic acid is COC[C@H]1O[C@@H](C)[C@@H](F)C1NP(C)(=O)O.
What is the InChIKey of N-[(2S,4S,5S)-4-fluoro-2-(methoxymethyl)-5-methyloxolan-3-yl]-methylphosphonamidic acid?
The InChIKey is UXYMYCOZEYBKQN-FWYCZPIQSA-N. The full InChI is InChI=1S/C8H17FNO4P/c1-5-7(9)8(10-15(3,11)12)6(14-5)4-13-2/h5-8H,4H2,1-3H3,(H2,10,11,12)/t5-,6+,7+,8?/m0/s1.
What are the key properties of N-[(2S,4S,5S)-4-fluoro-2-(methoxymethyl)-5-methyloxolan-3-yl]-methylphosphonamidic acid?
N-[(2S,4S,5S)-4-fluoro-2-(methoxymethyl)-5-methyloxolan-3-yl]-methylphosphonamidic acid has a molecular weight of 241.20 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4S,5S)-4-fluoro-2-(methoxymethyl)-5-methyloxolan-3-yl]-methylphosphonamidic acid is sourced from PubChem (CID 174097852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).