(4R,5S,6R)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,4,5-triol

C7H14O6 — CID 155565939

IUPAC(4R,5S,6R)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,4,5-triol
SMILESOC[C@@H](O)[C@H]1OC(O)C[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H14O6/c8-2-4(10)7-6(12)3(9)1-5(11)13-7/h3-12H,1-2H2/t3-,4-,5?,6+,7-/m1/s1
InChIKeyXKBYYTRLKVABMB-VXDYUFBISA-N
MW194.18 g/mol
LogP-2.83
Rot. Bonds2

About (4R,5S,6R)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,4,5-triol

(4R,5S,6R)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,4,5-triol (PubChem CID 155565939) has the molecular formula C7H14O6 and a molecular weight of 194.18 g/mol. Its IUPAC name is (4R,5S,6R)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,4,5-triol.

Molecular Properties

Compound Name(4R,5S,6R)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,4,5-triol
PubChem CID155565939
Molecular FormulaC7H14O6
Molecular Weight194.18 g/mol
Exact Mass194.08
IUPAC Name(4R,5S,6R)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,4,5-triol
SMILESOC[C@@H](O)[C@H]1OC(O)C[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H14O6/c8-2-4(10)7-6(12)3(9)1-5(11)13-7/h3-12H,1-2H2/t3-,4-,5?,6+,7-/m1/s1
InChIKeyXKBYYTRLKVABMB-VXDYUFBISA-N
XLogP-2.83
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 5-2.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze (4R,5S,6R)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,4,5-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R,5S,6R)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,4,5-triol?
The IUPAC name of (4R,5S,6R)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,4,5-triol (CID 155565939) is (4R,5S,6R)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,4,5-triol.
What is the SMILES notation for (4R,5S,6R)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,4,5-triol?
The canonical SMILES for (4R,5S,6R)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,4,5-triol is OC[C@@H](O)[C@H]1OC(O)C[C@@H](O)[C@@H]1O.
What is the InChIKey of (4R,5S,6R)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,4,5-triol?
The InChIKey is XKBYYTRLKVABMB-VXDYUFBISA-N. The full InChI is InChI=1S/C7H14O6/c8-2-4(10)7-6(12)3(9)1-5(11)13-7/h3-12H,1-2H2/t3-,4-,5?,6+,7-/m1/s1.
What are the key properties of (4R,5S,6R)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,4,5-triol?
(4R,5S,6R)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,4,5-triol has a molecular weight of 194.18 g/mol, XLogP of -2.83, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S,6R)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,4,5-triol is sourced from PubChem (CID 155565939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).