[(2S,3R,4S,5S,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] N-propylcarbamate

C10H18FNO6 — CID 167272539

IUPAC[(2S,3R,4S,5S,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] N-propylcarbamate
SMILESCCCNC(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1F
InChIInChI=1S/C10H18FNO6/c1-2-3-12-10(16)18-9-6(11)8(15)7(14)5(4-13)17-9/h5-9,13-15H,2-4H2,1H3,(H,12,16)/t5-,6-,7-,8-,9+/m1/s1
InChIKeyFXWAUHCGGMWONH-OKNNCHMLSA-N
MW267.25 g/mol
LogP-1.10
Rot. Bonds4

About [(2S,3R,4S,5S,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] N-propylcarbamate

[(2S,3R,4S,5S,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] N-propylcarbamate (PubChem CID 167272539) has the molecular formula C10H18FNO6 and a molecular weight of 267.25 g/mol. Its IUPAC name is [(2S,3R,4S,5S,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] N-propylcarbamate.

Molecular Properties

Compound Name[(2S,3R,4S,5S,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] N-propylcarbamate
PubChem CID167272539
Molecular FormulaC10H18FNO6
Molecular Weight267.25 g/mol
Exact Mass267.11
IUPAC Name[(2S,3R,4S,5S,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] N-propylcarbamate
SMILESCCCNC(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1F
InChIInChI=1S/C10H18FNO6/c1-2-3-12-10(16)18-9-6(11)8(15)7(14)5(4-13)17-9/h5-9,13-15H,2-4H2,1H3,(H,12,16)/t5-,6-,7-,8-,9+/m1/s1
InChIKeyFXWAUHCGGMWONH-OKNNCHMLSA-N
XLogP-1.10
TPSA108.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 5-1.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze [(2S,3R,4S,5S,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] N-propylcarbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4S,5S,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] N-propylcarbamate?
The IUPAC name of [(2S,3R,4S,5S,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] N-propylcarbamate (CID 167272539) is [(2S,3R,4S,5S,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] N-propylcarbamate.
What is the SMILES notation for [(2S,3R,4S,5S,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] N-propylcarbamate?
The canonical SMILES for [(2S,3R,4S,5S,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] N-propylcarbamate is CCCNC(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1F.
What is the InChIKey of [(2S,3R,4S,5S,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] N-propylcarbamate?
The InChIKey is FXWAUHCGGMWONH-OKNNCHMLSA-N. The full InChI is InChI=1S/C10H18FNO6/c1-2-3-12-10(16)18-9-6(11)8(15)7(14)5(4-13)17-9/h5-9,13-15H,2-4H2,1H3,(H,12,16)/t5-,6-,7-,8-,9+/m1/s1.
What are the key properties of [(2S,3R,4S,5S,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] N-propylcarbamate?
[(2S,3R,4S,5S,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] N-propylcarbamate has a molecular weight of 267.25 g/mol, XLogP of -1.10, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4S,5S,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] N-propylcarbamate is sourced from PubChem (CID 167272539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).