(4S,5R)-5-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-one

C11H18O9 — CID 102322384

IUPAC(4S,5R)-5-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-one
SMILESO=C1C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O1
InChIInChI=1S/C11H18O9/c12-2-5-4(1-7(14)18-5)19-11-10(17)9(16)8(15)6(3-13)20-11/h4-6,8-13,15-17H,1-3H2/t4-,5+,6+,8+,9-,10+,11+/m0/s1
InChIKeyGPIJMIWHLZJMMT-SJPVLFDFSA-N
MW294.26 g/mol
LogP-3.52
Rot. Bonds4

About (4S,5R)-5-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-one

(4S,5R)-5-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-one (PubChem CID 102322384) has the molecular formula C11H18O9 and a molecular weight of 294.26 g/mol. Its IUPAC name is (4S,5R)-5-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-one.

Molecular Properties

Compound Name(4S,5R)-5-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-one
PubChem CID102322384
Molecular FormulaC11H18O9
Molecular Weight294.26 g/mol
Exact Mass294.10
IUPAC Name(4S,5R)-5-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-one
SMILESO=C1C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O1
InChIInChI=1S/C11H18O9/c12-2-5-4(1-7(14)18-5)19-11-10(17)9(16)8(15)6(3-13)20-11/h4-6,8-13,15-17H,1-3H2/t4-,5+,6+,8+,9-,10+,11+/m0/s1
InChIKeyGPIJMIWHLZJMMT-SJPVLFDFSA-N
XLogP-3.52
TPSA145.91 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 5-3.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze (4S,5R)-5-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-one with MolForge

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Related Compounds

Lactobionic Acid
CID 7314
Turanose
CID 5460935
Palatinose
CID 83686
Kinsenoside
CID 10422896
Kaltostat
CID 6850754
Calcium Glubionate
CID 6093269
D-maltobiono-1,5-lactone
CID 657034
3-Hydroxy-4-butanolide
CID 72569818
Gaxilose
CID 3082054
Lactobionate
CID 40479693
Leucrose
CID 165577
Digalacturonate
CID 439694

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-one?
The IUPAC name of (4S,5R)-5-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-one (CID 102322384) is (4S,5R)-5-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-one.
What is the SMILES notation for (4S,5R)-5-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-one?
The canonical SMILES for (4S,5R)-5-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-one is O=C1C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O1.
What is the InChIKey of (4S,5R)-5-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-one?
The InChIKey is GPIJMIWHLZJMMT-SJPVLFDFSA-N. The full InChI is InChI=1S/C11H18O9/c12-2-5-4(1-7(14)18-5)19-11-10(17)9(16)8(15)6(3-13)20-11/h4-6,8-13,15-17H,1-3H2/t4-,5+,6+,8+,9-,10+,11+/m0/s1.
What are the key properties of (4S,5R)-5-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-one?
(4S,5R)-5-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-one has a molecular weight of 294.26 g/mol, XLogP of -3.52, 4 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-one is sourced from PubChem (CID 102322384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).