[[(3S,4S)-5-fluoro-3,4-dihydroxy-6-methyloxan-2-yl]methylamino]phosphonic acid

C7H15FNO6P — CID 171771244

IUPAC[[(3S,4S)-5-fluoro-3,4-dihydroxy-6-methyloxan-2-yl]methylamino]phosphonic acid
SMILESCC1OC(CNP(=O)(O)O)[C@@H](O)[C@H](O)C1F
InChIInChI=1S/C7H15FNO6P/c1-3-5(8)7(11)6(10)4(15-3)2-9-16(12,13)14/h3-7,10-11H,2H2,1H3,(H3,9,12,13,14)/t3?,4?,5?,6-,7-/m1/s1
InChIKeyMDJKKVBUNHHOGY-CSFZXIAZSA-N
MW259.17 g/mol
LogP-1.48
Rot. Bonds3

About [[(3S,4S)-5-fluoro-3,4-dihydroxy-6-methyloxan-2-yl]methylamino]phosphonic acid

[[(3S,4S)-5-fluoro-3,4-dihydroxy-6-methyloxan-2-yl]methylamino]phosphonic acid (PubChem CID 171771244) has the molecular formula C7H15FNO6P and a molecular weight of 259.17 g/mol. Its IUPAC name is [[(3S,4S)-5-fluoro-3,4-dihydroxy-6-methyloxan-2-yl]methylamino]phosphonic acid.

Molecular Properties

Compound Name[[(3S,4S)-5-fluoro-3,4-dihydroxy-6-methyloxan-2-yl]methylamino]phosphonic acid
PubChem CID171771244
Molecular FormulaC7H15FNO6P
Molecular Weight259.17 g/mol
Exact Mass259.06
IUPAC Name[[(3S,4S)-5-fluoro-3,4-dihydroxy-6-methyloxan-2-yl]methylamino]phosphonic acid
SMILESCC1OC(CNP(=O)(O)O)[C@@H](O)[C@H](O)C1F
InChIInChI=1S/C7H15FNO6P/c1-3-5(8)7(11)6(10)4(15-3)2-9-16(12,13)14/h3-7,10-11H,2H2,1H3,(H3,9,12,13,14)/t3?,4?,5?,6-,7-/m1/s1
InChIKeyMDJKKVBUNHHOGY-CSFZXIAZSA-N
XLogP-1.48
TPSA119.25 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.17
LogP ≤ 5-1.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,5S)-4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 126576554
(3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 58758262
(3R,4S,5R,6S)-5-(18F)fluoro-6-methyloxane-2,3,4-triol
CID 167601278
2-methyl-6-(methylaminomethyl)oxane-3,4,5-triol
CID 91390679
(2S,3R,4R,5S,6R)-5-fluoro-6-(hydroxymethyl)-2-methyloxane-3,4-diol
CID 89292161
(4-fluoro-3,5-dimethyloxolan-2-yl)methanol
CID 76558929
[(2R,3S,4R)-3,4-dihydroxy-5-methyloxolan-2-yl]methyl dihydrogen phosphate
CID 166808827
N-[(2S,4S,5S)-4-fluoro-2-(methoxymethyl)-5-methyloxolan-3-yl]-methylphosphonamidic acid
CID 174097852
2-[(2R,3R,5S)-3,4-dihydroxy-5-methyloxolan-2-yl]acetyl chloride
CID 88976644
[[(2R,4S,5S)-3,4-dihydroxy-5-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroxy(methoxy)phosphoryl] hydrogen phosphate
CID 164962940
[(2R,3S,4R,5R)-5-amino-3,4-dihydroxy-6-methyloxan-2-yl]methyl dihydrogen phosphate
CID 140635283
2-[(3S,4R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]acetic acid
CID 67963326

Frequently Asked Questions

What is the IUPAC name of [[(3S,4S)-5-fluoro-3,4-dihydroxy-6-methyloxan-2-yl]methylamino]phosphonic acid?
The IUPAC name of [[(3S,4S)-5-fluoro-3,4-dihydroxy-6-methyloxan-2-yl]methylamino]phosphonic acid (CID 171771244) is [[(3S,4S)-5-fluoro-3,4-dihydroxy-6-methyloxan-2-yl]methylamino]phosphonic acid.
What is the SMILES notation for [[(3S,4S)-5-fluoro-3,4-dihydroxy-6-methyloxan-2-yl]methylamino]phosphonic acid?
The canonical SMILES for [[(3S,4S)-5-fluoro-3,4-dihydroxy-6-methyloxan-2-yl]methylamino]phosphonic acid is CC1OC(CNP(=O)(O)O)[C@@H](O)[C@H](O)C1F.
What is the InChIKey of [[(3S,4S)-5-fluoro-3,4-dihydroxy-6-methyloxan-2-yl]methylamino]phosphonic acid?
The InChIKey is MDJKKVBUNHHOGY-CSFZXIAZSA-N. The full InChI is InChI=1S/C7H15FNO6P/c1-3-5(8)7(11)6(10)4(15-3)2-9-16(12,13)14/h3-7,10-11H,2H2,1H3,(H3,9,12,13,14)/t3?,4?,5?,6-,7-/m1/s1.
What are the key properties of [[(3S,4S)-5-fluoro-3,4-dihydroxy-6-methyloxan-2-yl]methylamino]phosphonic acid?
[[(3S,4S)-5-fluoro-3,4-dihydroxy-6-methyloxan-2-yl]methylamino]phosphonic acid has a molecular weight of 259.17 g/mol, XLogP of -1.48, 3 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[(3S,4S)-5-fluoro-3,4-dihydroxy-6-methyloxan-2-yl]methylamino]phosphonic acid is sourced from PubChem (CID 171771244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).