(3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol

C6H12O6 — CID 2723872

IUPAC(3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILESOCC1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5+,6?/m1/s1
InChIKeyLKDRXBCSQODPBY-VRPWFDPXSA-N
MW180.16 g/mol
LogP-3.22
Rot. Bonds1

About (3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol

(3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol (PubChem CID 2723872) has the molecular formula C6H12O6 and a molecular weight of 180.16 g/mol. Its IUPAC name is (3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
PubChem CID2723872
Molecular FormulaC6H12O6
Molecular Weight180.16 g/mol
Exact Mass180.06
IUPAC Name(3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILESOCC1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5+,6?/m1/s1
InChIKeyLKDRXBCSQODPBY-VRPWFDPXSA-N
XLogP-3.22
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 5-3.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

Lactitol
CID 157355
D-Xylose
CID 135191
D-Glucose
CID 5793
D-Galactose
CID 6036
D-Tagatose
CID 439312
Hexose
CID 206
L-Fucose
CID 17106
Beta-D-Fructopyranose
CID 24310
Maltitol
CID 493591
beta-D-Galactopyranose
CID 439353
D-Ribose
CID 10975657
L-Rhamnose
CID 25310

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The IUPAC name of (3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol (CID 2723872) is (3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for (3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The canonical SMILES for (3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol is OCC1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The InChIKey is LKDRXBCSQODPBY-VRPWFDPXSA-N. The full InChI is InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5+,6?/m1/s1.
What are the key properties of (3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol?
(3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol has a molecular weight of 180.16 g/mol, XLogP of -3.22, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 2723872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).