(2R,3R,4S,5S,6S)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[(2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-3-yl]-2-(hydroxymethyl)oxan-3-yl]oxy-6-(fluoromethyl)oxane-3,4,5-triol

C17H30FNO11 — CID 142927779

IUPAC(2R,3R,4S,5S,6S)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[(2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-3-yl]-2-(hydroxymethyl)oxan-3-yl]oxy-6-(fluoromethyl)oxane-3,4,5-triol
SMILESOC[C@H]1NC[C@@H](O)C1C1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CF)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
InChIInChI=1S/C17H30FNO11/c18-1-7-10(23)11(24)14(27)17(29-7)30-15-8(4-21)28-16(13(26)12(15)25)9-5(3-20)19-2-6(9)22/h5-17,19-27H,1-4H2/t5-,6-,7-,8-,9?,10-,11+,12-,13-,14-,15-,16?,17+/m1/s1
InChIKeyYVSRZOAXDKZZER-ZHPFPISTSA-N
MW443.42 g/mol
LogP-5.43
Rot. Bonds6

About (2R,3R,4S,5S,6S)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[(2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-3-yl]-2-(hydroxymethyl)oxan-3-yl]oxy-6-(fluoromethyl)oxane-3,4,5-triol

(2R,3R,4S,5S,6S)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[(2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-3-yl]-2-(hydroxymethyl)oxan-3-yl]oxy-6-(fluoromethyl)oxane-3,4,5-triol (PubChem CID 142927779) has the molecular formula C17H30FNO11 and a molecular weight of 443.42 g/mol. Its IUPAC name is (2R,3R,4S,5S,6S)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[(2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-3-yl]-2-(hydroxymethyl)oxan-3-yl]oxy-6-(fluoromethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5S,6S)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[(2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-3-yl]-2-(hydroxymethyl)oxan-3-yl]oxy-6-(fluoromethyl)oxane-3,4,5-triol
PubChem CID142927779
Molecular FormulaC17H30FNO11
Molecular Weight443.42 g/mol
Exact Mass443.18
IUPAC Name(2R,3R,4S,5S,6S)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[(2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-3-yl]-2-(hydroxymethyl)oxan-3-yl]oxy-6-(fluoromethyl)oxane-3,4,5-triol
SMILESOC[C@H]1NC[C@@H](O)C1C1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CF)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
InChIInChI=1S/C17H30FNO11/c18-1-7-10(23)11(24)14(27)17(29-7)30-15-8(4-21)28-16(13(26)12(15)25)9-5(3-20)19-2-6(9)22/h5-17,19-27H,1-4H2/t5-,6-,7-,8-,9?,10-,11+,12-,13-,14-,15-,16?,17+/m1/s1
InChIKeyYVSRZOAXDKZZER-ZHPFPISTSA-N
XLogP-5.43
TPSA201.56 Ų
H-Bond Donors9
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500443.42
LogP ≤ 5-5.43
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1012

Analyze (2R,3R,4S,5S,6S)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[(2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-3-yl]-2-(hydroxymethyl)oxan-3-yl]oxy-6-(fluoromethyl)oxane-3,4,5-triol with MolForge

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Related Compounds

(2S,3R,4S,5S,6R)-2-[[(1R,2R,5R,6R,7R,8R)-6,7-dihydroxy-1,5-bis(hydroxymethyl)-1,2,3,4,5,6,7,8-octahydropyrrolizin-4-ium-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 72199476
(2S,3R,4S)-4-[(S)-(3,4-dihydroxypyrrolidin-2-yl)-hydroxymethyl]-6-(hydroxymethyl)oxane-2,3,5-triol
CID 44382346
(2S,4S)-4-[(S)-(3,4-dihydroxypyrrolidin-2-yl)-hydroxymethyl]-6-(hydroxymethyl)oxane-2,3,5-triol
CID 44382387
(2R,3S,4R,5R,6S)-3-[(2R,3R,4R,5S,6S)-6-(fluoromethyl)-3,4,5-trihydroxyoxan-2-yl]-6-[(2S,3R,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-3-yl]oxy-2-(hydroxymethyl)oxane-3,4,5-triol
CID 68442610
(2R,3S,4R,5R,6R)-6-[(2S,3R,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-3-yl]oxy-2-(hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxane-3,4,5-triol
CID 69751983
(3R,4S,5S,6R)-2-[(2S,3S,4S,5R,6R)-6-[(2R,3R,4R)-4-fluoro-2-(hydroxymethyl)pyrrolidin-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]-6-methyloxane-3,4,5-triol
CID 142927778
(2R,3R,5S)-5-[(2R,5S,6S)-6-(fluoromethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-[(2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-3-yl]-6-(hydroxymethyl)oxane-3,4-diol
CID 163704780
2-[(2S,3S,4R)-3,4-dihydroxy-2-[[(2S)-1,1,1-trifluoro-12-(oxolan-3-yl)dodecan-2-yl]amino]octadecoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 170682657
2-[(2S,3S,4R)-3,4-dihydroxy-2-[[(2S)-1,1,1-trifluoro-12-pyrrolidin-3-yldodecan-2-yl]amino]octadecoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 170682751
2-[(2S,3S,4R)-3,4-dihydroxy-2-[[(2S)-1,1,1-trifluoro-12-(oxan-4-yl)dodecan-2-yl]amino]octadecoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 170682804
N-[(2R,3R,4R,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-methoxy-4-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methyl]oxan-3-yl]acetamide
CID 101154106
(2R,5R)-6-[2-[(2R,5S)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]ethyl]oxane-2,3,4,5-tetrol
CID 134853723

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6S)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[(2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-3-yl]-2-(hydroxymethyl)oxan-3-yl]oxy-6-(fluoromethyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5S,6S)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[(2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-3-yl]-2-(hydroxymethyl)oxan-3-yl]oxy-6-(fluoromethyl)oxane-3,4,5-triol (CID 142927779) is (2R,3R,4S,5S,6S)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[(2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-3-yl]-2-(hydroxymethyl)oxan-3-yl]oxy-6-(fluoromethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5S,6S)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[(2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-3-yl]-2-(hydroxymethyl)oxan-3-yl]oxy-6-(fluoromethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5S,6S)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[(2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-3-yl]-2-(hydroxymethyl)oxan-3-yl]oxy-6-(fluoromethyl)oxane-3,4,5-triol is OC[C@H]1NC[C@@H](O)C1C1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CF)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5S,6S)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[(2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-3-yl]-2-(hydroxymethyl)oxan-3-yl]oxy-6-(fluoromethyl)oxane-3,4,5-triol?
The InChIKey is YVSRZOAXDKZZER-ZHPFPISTSA-N. The full InChI is InChI=1S/C17H30FNO11/c18-1-7-10(23)11(24)14(27)17(29-7)30-15-8(4-21)28-16(13(26)12(15)25)9-5(3-20)19-2-6(9)22/h5-17,19-27H,1-4H2/t5-,6-,7-,8-,9?,10-,11+,12-,13-,14-,15-,16?,17+/m1/s1.
What are the key properties of (2R,3R,4S,5S,6S)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[(2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-3-yl]-2-(hydroxymethyl)oxan-3-yl]oxy-6-(fluoromethyl)oxane-3,4,5-triol?
(2R,3R,4S,5S,6S)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[(2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-3-yl]-2-(hydroxymethyl)oxan-3-yl]oxy-6-(fluoromethyl)oxane-3,4,5-triol has a molecular weight of 443.42 g/mol, XLogP of -5.43, 6 rotatable bonds, 9 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S,6S)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[(2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-3-yl]-2-(hydroxymethyl)oxan-3-yl]oxy-6-(fluoromethyl)oxane-3,4,5-triol is sourced from PubChem (CID 142927779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).