(3R,4R,5S)-4-amino-3-fluoro-5-(hydroxymethyl)oxolan-2-ol

C5H10FNO3 — CID 156564830

IUPAC(3R,4R,5S)-4-amino-3-fluoro-5-(hydroxymethyl)oxolan-2-ol
SMILESN[C@@H]1[C@@H](CO)OC(O)[C@@H]1F
InChIInChI=1S/C5H10FNO3/c6-3-4(7)2(1-8)10-5(3)9/h2-5,8-9H,1,7H2/t2-,3-,4-,5?/m1/s1
InChIKeyDEGZUGSJXIRHKR-SOOFDHNKSA-N
MW151.14 g/mol
LogP-1.64
Rot. Bonds1

About (3R,4R,5S)-4-amino-3-fluoro-5-(hydroxymethyl)oxolan-2-ol

(3R,4R,5S)-4-amino-3-fluoro-5-(hydroxymethyl)oxolan-2-ol (PubChem CID 156564830) has the molecular formula C5H10FNO3 and a molecular weight of 151.14 g/mol. Its IUPAC name is (3R,4R,5S)-4-amino-3-fluoro-5-(hydroxymethyl)oxolan-2-ol.

Molecular Properties

Compound Name(3R,4R,5S)-4-amino-3-fluoro-5-(hydroxymethyl)oxolan-2-ol
PubChem CID156564830
Molecular FormulaC5H10FNO3
Molecular Weight151.14 g/mol
Exact Mass151.06
IUPAC Name(3R,4R,5S)-4-amino-3-fluoro-5-(hydroxymethyl)oxolan-2-ol
SMILESN[C@@H]1[C@@H](CO)OC(O)[C@@H]1F
InChIInChI=1S/C5H10FNO3/c6-3-4(7)2(1-8)10-5(3)9/h2-5,8-9H,1,7H2/t2-,3-,4-,5?/m1/s1
InChIKeyDEGZUGSJXIRHKR-SOOFDHNKSA-N
XLogP-1.64
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.14
LogP ≤ 5-1.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S,4S,5R,6R)-3,4,5-trifluoro-6-(hydroxymethyl)oxan-2-ol
CID 130763832
(2R,3S,4R,5R)-3-fluoro-5-(hydroxymethyl)oxolane-2,4-diol
CID 18665788
(2R,3R,4S,5S,6R)-3-fluoro-6-(hydroxymethyl)oxane-2,4,5-triol
CID 5288324
(3R,4S,5S,6S)-5-amino-6-(hydroxymethyl)oxane-2,3,4-triol;hydrochloride
CID 70543621
(2S,3R,4S,5S)-3-(18F)fluoro-6-(hydroxymethyl)oxane-2,4,5-triol
CID 25173432
(2S,3S,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolane-2,3-diol
CID 66649258
(3S,4S,5R)-4-(18F)fluoro-5-(hydroxymethyl)oxolane-2,3-diol
CID 71475417
(2R,3R,4R,5S,6S)-5-fluoro-6-(hydroxymethyl)oxane-2,3,4-triol
CID 51398012
(2R,3S,4S,5R)-3-amino-5-(hydroxymethyl)oxolane-2,4-diol
CID 55288704
(5S)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 67457513
(2R,3R,4S,5R,6S)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 7568496
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;(3S,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;(3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 162091299

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S)-4-amino-3-fluoro-5-(hydroxymethyl)oxolan-2-ol?
The IUPAC name of (3R,4R,5S)-4-amino-3-fluoro-5-(hydroxymethyl)oxolan-2-ol (CID 156564830) is (3R,4R,5S)-4-amino-3-fluoro-5-(hydroxymethyl)oxolan-2-ol.
What is the SMILES notation for (3R,4R,5S)-4-amino-3-fluoro-5-(hydroxymethyl)oxolan-2-ol?
The canonical SMILES for (3R,4R,5S)-4-amino-3-fluoro-5-(hydroxymethyl)oxolan-2-ol is N[C@@H]1[C@@H](CO)OC(O)[C@@H]1F.
What is the InChIKey of (3R,4R,5S)-4-amino-3-fluoro-5-(hydroxymethyl)oxolan-2-ol?
The InChIKey is DEGZUGSJXIRHKR-SOOFDHNKSA-N. The full InChI is InChI=1S/C5H10FNO3/c6-3-4(7)2(1-8)10-5(3)9/h2-5,8-9H,1,7H2/t2-,3-,4-,5?/m1/s1.
What are the key properties of (3R,4R,5S)-4-amino-3-fluoro-5-(hydroxymethyl)oxolan-2-ol?
(3R,4R,5S)-4-amino-3-fluoro-5-(hydroxymethyl)oxolan-2-ol has a molecular weight of 151.14 g/mol, XLogP of -1.64, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-4-amino-3-fluoro-5-(hydroxymethyl)oxolan-2-ol is sourced from PubChem (CID 156564830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).