D-Glucose

C6H12O6 — CID 5793

IUPAC(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILESC([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O)O
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1
InChIKeyWQZGKKKJIJFFOK-GASJEMHNSA-N
MW180.16 g/mol
LogP-2.60
Rot. Bonds1

About D-Glucose

D-Glucose (PubChem CID 5793) has the molecular formula C6H12O6 and a molecular weight of 180.16 g/mol. Its IUPAC name is (3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound NameD-Glucose
PubChem CID5793
Molecular FormulaC6H12O6
Molecular Weight180.16 g/mol
Exact Mass180.06
IUPAC Name(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILESC([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O)O
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1
InChIKeyWQZGKKKJIJFFOK-GASJEMHNSA-N
XLogP-2.60
TPSA110.00 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity151

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 5-2.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of D-Glucose?
The IUPAC name of D-Glucose (CID 5793) is (3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for D-Glucose?
The canonical SMILES for D-Glucose is C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O)O.
What is the InChIKey of D-Glucose?
The InChIKey is WQZGKKKJIJFFOK-GASJEMHNSA-N. The full InChI is InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1.
What are the key properties of D-Glucose?
D-Glucose has a molecular weight of 180.16 g/mol, XLogP of -2.60, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for D-Glucose is sourced from PubChem (CID 5793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).