(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

C17H30FNO10 — CID 163704780

IUPAC(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
SMILESOCC1OC(C2[C@H](O)CN[C@@H]2CO)[C@H](O)C(O)[C@@H]1O[C@H]1CC(O)[C@H](O)[C@@H](CF)O1
InChIInChI=1S/C17H30FNO10/c18-2-9-13(24)7(22)1-11(27-9)29-16-10(5-21)28-17(15(26)14(16)25)12-6(4-20)19-3-8(12)23/h6-17,19-26H,1-5H2/t6-,7?,8-,9-,10?,11+,12?,13+,14?,15-,16-,17?/m1/s1
InChIKeyKECZUYXVNUOPAV-DUTHBOJKSA-N
MW427.42 g/mol
LogP-4.40
Rot. Bonds6

About (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

(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 (PubChem CID 163704780) has the molecular formula C17H30FNO10 and a molecular weight of 427.42 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID163704780
Molecular FormulaC17H30FNO10
Molecular Weight427.42 g/mol
Exact Mass427.19
IUPAC Name(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
SMILESOCC1OC(C2[C@H](O)CN[C@@H]2CO)[C@H](O)C(O)[C@@H]1O[C@H]1CC(O)[C@H](O)[C@@H](CF)O1
InChIInChI=1S/C17H30FNO10/c18-2-9-13(24)7(22)1-11(27-9)29-16-10(5-21)28-17(15(26)14(16)25)12-6(4-20)19-3-8(12)23/h6-17,19-26H,1-5H2/t6-,7?,8-,9-,10?,11+,12?,13+,14?,15-,16-,17?/m1/s1
InChIKeyKECZUYXVNUOPAV-DUTHBOJKSA-N
XLogP-4.40
TPSA181.33 Ų
H-Bond Donors8
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500427.42
LogP ≤ 5-4.40
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1011

Analyze (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 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,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
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,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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is OCC1OC(C2[C@H](O)CN[C@@H]2CO)[C@H](O)C(O)[C@@H]1O[C@H]1CC(O)[C@H](O)[C@@H](CF)O1.
What is the InChIKey of (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?
The InChIKey is KECZUYXVNUOPAV-DUTHBOJKSA-N. The full InChI is InChI=1S/C17H30FNO10/c18-2-9-13(24)7(22)1-11(27-9)29-16-10(5-21)28-17(15(26)14(16)25)12-6(4-20)19-3-8(12)23/h6-17,19-26H,1-5H2/t6-,7?,8-,9-,10?,11+,12?,13+,14?,15-,16-,17?/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 427.42 g/mol, XLogP of -4.40, 6 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 163704780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).