(1R,2R,3R,6R,7S,8S)-6-fluoro-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol

C8H14FNO4 — CID 171345019

IUPAC(1R,2R,3R,6R,7S,8S)-6-fluoro-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
SMILESOC[C@@H]1[C@@H](O)[C@H](O)[C@H]2[C@H](O)[C@H](F)CN21
InChIInChI=1S/C8H14FNO4/c9-3-1-10-4(2-11)7(13)8(14)5(10)6(3)12/h3-8,11-14H,1-2H2/t3-,4-,5-,6-,7-,8-/m1/s1
InChIKeyHVKNJBFAJLQLGG-ORBTUSEBSA-N
MW207.20 g/mol
LogP-2.53
Rot. Bonds1

About (1R,2R,3R,6R,7S,8S)-6-fluoro-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol

(1R,2R,3R,6R,7S,8S)-6-fluoro-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol (PubChem CID 171345019) has the molecular formula C8H14FNO4 and a molecular weight of 207.20 g/mol. Its IUPAC name is (1R,2R,3R,6R,7S,8S)-6-fluoro-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol.

Molecular Properties

Compound Name(1R,2R,3R,6R,7S,8S)-6-fluoro-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
PubChem CID171345019
Molecular FormulaC8H14FNO4
Molecular Weight207.20 g/mol
Exact Mass207.09
IUPAC Name(1R,2R,3R,6R,7S,8S)-6-fluoro-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
SMILESOC[C@@H]1[C@@H](O)[C@H](O)[C@H]2[C@H](O)[C@H](F)CN21
InChIInChI=1S/C8H14FNO4/c9-3-1-10-4(2-11)7(13)8(14)5(10)6(3)12/h3-8,11-14H,1-2H2/t3-,4-,5-,6-,7-,8-/m1/s1
InChIKeyHVKNJBFAJLQLGG-ORBTUSEBSA-N
XLogP-2.53
TPSA84.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 5-2.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (1R,2R,3R,6R,7S,8S)-6-fluoro-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,6R,7S,8S)-6-fluoro-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol?
The IUPAC name of (1R,2R,3R,6R,7S,8S)-6-fluoro-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol (CID 171345019) is (1R,2R,3R,6R,7S,8S)-6-fluoro-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol.
What is the SMILES notation for (1R,2R,3R,6R,7S,8S)-6-fluoro-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol?
The canonical SMILES for (1R,2R,3R,6R,7S,8S)-6-fluoro-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol is OC[C@@H]1[C@@H](O)[C@H](O)[C@H]2[C@H](O)[C@H](F)CN21.
What is the InChIKey of (1R,2R,3R,6R,7S,8S)-6-fluoro-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol?
The InChIKey is HVKNJBFAJLQLGG-ORBTUSEBSA-N. The full InChI is InChI=1S/C8H14FNO4/c9-3-1-10-4(2-11)7(13)8(14)5(10)6(3)12/h3-8,11-14H,1-2H2/t3-,4-,5-,6-,7-,8-/m1/s1.
What are the key properties of (1R,2R,3R,6R,7S,8S)-6-fluoro-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol?
(1R,2R,3R,6R,7S,8S)-6-fluoro-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol has a molecular weight of 207.20 g/mol, XLogP of -2.53, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,6R,7S,8S)-6-fluoro-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol is sourced from PubChem (CID 171345019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).