(3R,4S,5S)-5-[(1S)-1-hydroxyethyl]oxolane-2,3,4-triol

C6H12O5 — CID 11953811

IUPAC(3R,4S,5S)-5-[(1S)-1-hydroxyethyl]oxolane-2,3,4-triol
SMILESC[C@H](O)[C@@H]1OC(O)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H12O5/c1-2(7)5-3(8)4(9)6(10)11-5/h2-10H,1H3/t2-,3-,4+,5-,6?/m0/s1
InChIKeyAFNUZVCFKQUDBJ-ZZWDRFIYSA-N
MW164.16 g/mol
LogP-2.19
Rot. Bonds1

About (3R,4S,5S)-5-[(1S)-1-hydroxyethyl]oxolane-2,3,4-triol

(3R,4S,5S)-5-[(1S)-1-hydroxyethyl]oxolane-2,3,4-triol (PubChem CID 11953811) has the molecular formula C6H12O5 and a molecular weight of 164.16 g/mol. Its IUPAC name is (3R,4S,5S)-5-[(1S)-1-hydroxyethyl]oxolane-2,3,4-triol.

Molecular Properties

Compound Name(3R,4S,5S)-5-[(1S)-1-hydroxyethyl]oxolane-2,3,4-triol
PubChem CID11953811
Molecular FormulaC6H12O5
Molecular Weight164.16 g/mol
Exact Mass164.07
IUPAC Name(3R,4S,5S)-5-[(1S)-1-hydroxyethyl]oxolane-2,3,4-triol
SMILESC[C@H](O)[C@@H]1OC(O)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H12O5/c1-2(7)5-3(8)4(9)6(10)11-5/h2-10H,1H3/t2-,3-,4+,5-,6?/m0/s1
InChIKeyAFNUZVCFKQUDBJ-ZZWDRFIYSA-N
XLogP-2.19
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 5-2.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

D-Glucose
CID 5793
D-Galactose
CID 6036
Hexose
CID 206
Beta-D-Glucose
CID 64689
L-Fucose
CID 17106
beta-D-Galactopyranose
CID 439353
L-Rhamnose
CID 25310
beta-D-fructose
CID 439709
D-Mannose
CID 18950
Alpha-D-Glucose
CID 79025
alpha-D-Galactopyranose
CID 439357
methyl alpha-D-glucopyranoside
CID 64947

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S)-5-[(1S)-1-hydroxyethyl]oxolane-2,3,4-triol?
The IUPAC name of (3R,4S,5S)-5-[(1S)-1-hydroxyethyl]oxolane-2,3,4-triol (CID 11953811) is (3R,4S,5S)-5-[(1S)-1-hydroxyethyl]oxolane-2,3,4-triol.
What is the SMILES notation for (3R,4S,5S)-5-[(1S)-1-hydroxyethyl]oxolane-2,3,4-triol?
The canonical SMILES for (3R,4S,5S)-5-[(1S)-1-hydroxyethyl]oxolane-2,3,4-triol is C[C@H](O)[C@@H]1OC(O)[C@H](O)[C@@H]1O.
What is the InChIKey of (3R,4S,5S)-5-[(1S)-1-hydroxyethyl]oxolane-2,3,4-triol?
The InChIKey is AFNUZVCFKQUDBJ-ZZWDRFIYSA-N. The full InChI is InChI=1S/C6H12O5/c1-2(7)5-3(8)4(9)6(10)11-5/h2-10H,1H3/t2-,3-,4+,5-,6?/m0/s1.
What are the key properties of (3R,4S,5S)-5-[(1S)-1-hydroxyethyl]oxolane-2,3,4-triol?
(3R,4S,5S)-5-[(1S)-1-hydroxyethyl]oxolane-2,3,4-triol has a molecular weight of 164.16 g/mol, XLogP of -2.19, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S)-5-[(1S)-1-hydroxyethyl]oxolane-2,3,4-triol is sourced from PubChem (CID 11953811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).