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

C17H29F2NO11 — CID 59699534

IUPAC(2S,3S,4S,5R,6R)-2-(fluoromethyl)-6-[(2S,3S,4R,5R,6S)-2-(fluoromethyl)-4,5-dihydroxy-6-[(2R,3R,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-3-yl]oxyoxan-3-yl]oxyoxane-3,4,5-triol
SMILESOC[C@H]1NC[C@@H](O)[C@@H]1O[C@H]1O[C@H](CF)[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/C17H29F2NO11/c18-1-7-9(23)10(24)12(26)16(28-7)31-15-8(2-19)29-17(13(27)11(15)25)30-14-5(4-21)20-3-6(14)22/h5-17,20-27H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16+,17-/m1/s1
InChIKeyQQDFQVBAXMOMCQ-ZMMVPWHFSA-N
MW461.41 g/mol
LogP-4.72
Rot. Bonds7

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

(2S,3S,4S,5R,6R)-2-(fluoromethyl)-6-[(2S,3S,4R,5R,6S)-2-(fluoromethyl)-4,5-dihydroxy-6-[(2R,3R,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-3-yl]oxyoxan-3-yl]oxyoxane-3,4,5-triol (PubChem CID 59699534) has the molecular formula C17H29F2NO11 and a molecular weight of 461.41 g/mol. Its IUPAC name is (2S,3S,4S,5R,6R)-2-(fluoromethyl)-6-[(2S,3S,4R,5R,6S)-2-(fluoromethyl)-4,5-dihydroxy-6-[(2R,3R,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-3-yl]oxyoxan-3-yl]oxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3S,4S,5R,6R)-2-(fluoromethyl)-6-[(2S,3S,4R,5R,6S)-2-(fluoromethyl)-4,5-dihydroxy-6-[(2R,3R,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-3-yl]oxyoxan-3-yl]oxyoxane-3,4,5-triol
PubChem CID59699534
Molecular FormulaC17H29F2NO11
Molecular Weight461.41 g/mol
Exact Mass461.17
IUPAC Name(2S,3S,4S,5R,6R)-2-(fluoromethyl)-6-[(2S,3S,4R,5R,6S)-2-(fluoromethyl)-4,5-dihydroxy-6-[(2R,3R,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-3-yl]oxyoxan-3-yl]oxyoxane-3,4,5-triol
SMILESOC[C@H]1NC[C@@H](O)[C@@H]1O[C@H]1O[C@H](CF)[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/C17H29F2NO11/c18-1-7-9(23)10(24)12(26)16(28-7)31-15-8(2-19)29-17(13(27)11(15)25)30-14-5(4-21)20-3-6(14)22/h5-17,20-27H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16+,17-/m1/s1
InChIKeyQQDFQVBAXMOMCQ-ZMMVPWHFSA-N
XLogP-4.72
TPSA190.56 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500461.41
LogP ≤ 5-4.72
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R,6R)-2-(fluoromethyl)-6-[(2S,3S,4R,5R,6S)-2-(fluoromethyl)-4,5-dihydroxy-6-[(2R,3R,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-3-yl]oxyoxan-3-yl]oxyoxane-3,4,5-triol?
The IUPAC name of (2S,3S,4S,5R,6R)-2-(fluoromethyl)-6-[(2S,3S,4R,5R,6S)-2-(fluoromethyl)-4,5-dihydroxy-6-[(2R,3R,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-3-yl]oxyoxan-3-yl]oxyoxane-3,4,5-triol (CID 59699534) is (2S,3S,4S,5R,6R)-2-(fluoromethyl)-6-[(2S,3S,4R,5R,6S)-2-(fluoromethyl)-4,5-dihydroxy-6-[(2R,3R,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-3-yl]oxyoxan-3-yl]oxyoxane-3,4,5-triol.
What is the SMILES notation for (2S,3S,4S,5R,6R)-2-(fluoromethyl)-6-[(2S,3S,4R,5R,6S)-2-(fluoromethyl)-4,5-dihydroxy-6-[(2R,3R,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-3-yl]oxyoxan-3-yl]oxyoxane-3,4,5-triol?
The canonical SMILES for (2S,3S,4S,5R,6R)-2-(fluoromethyl)-6-[(2S,3S,4R,5R,6S)-2-(fluoromethyl)-4,5-dihydroxy-6-[(2R,3R,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-3-yl]oxyoxan-3-yl]oxyoxane-3,4,5-triol is OC[C@H]1NC[C@@H](O)[C@@H]1O[C@H]1O[C@H](CF)[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 (2S,3S,4S,5R,6R)-2-(fluoromethyl)-6-[(2S,3S,4R,5R,6S)-2-(fluoromethyl)-4,5-dihydroxy-6-[(2R,3R,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-3-yl]oxyoxan-3-yl]oxyoxane-3,4,5-triol?
The InChIKey is QQDFQVBAXMOMCQ-ZMMVPWHFSA-N. The full InChI is InChI=1S/C17H29F2NO11/c18-1-7-9(23)10(24)12(26)16(28-7)31-15-8(2-19)29-17(13(27)11(15)25)30-14-5(4-21)20-3-6(14)22/h5-17,20-27H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16+,17-/m1/s1.
What are the key properties of (2S,3S,4S,5R,6R)-2-(fluoromethyl)-6-[(2S,3S,4R,5R,6S)-2-(fluoromethyl)-4,5-dihydroxy-6-[(2R,3R,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-3-yl]oxyoxan-3-yl]oxyoxane-3,4,5-triol?
(2S,3S,4S,5R,6R)-2-(fluoromethyl)-6-[(2S,3S,4R,5R,6S)-2-(fluoromethyl)-4,5-dihydroxy-6-[(2R,3R,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-3-yl]oxyoxan-3-yl]oxyoxane-3,4,5-triol has a molecular weight of 461.41 g/mol, XLogP of -4.72, 7 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R,6R)-2-(fluoromethyl)-6-[(2S,3S,4R,5R,6S)-2-(fluoromethyl)-4,5-dihydroxy-6-[(2R,3R,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-3-yl]oxyoxan-3-yl]oxyoxane-3,4,5-triol is sourced from PubChem (CID 59699534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).