(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one

C6H10O6 — CID 7027

IUPAC(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one
SMILESO=C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3-,4+,5-/m1/s1
InChIKeyPHOQVHQSTUBQQK-SQOUGZDYSA-N
MW178.14 g/mol
LogP-3.01
Rot. Bonds1

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

(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one (PubChem CID 7027) has the molecular formula C6H10O6 and a molecular weight of 178.14 g/mol. Its IUPAC name is (3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one.

Molecular Properties

Compound Name(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one
PubChem CID7027
Molecular FormulaC6H10O6
Molecular Weight178.14 g/mol
Exact Mass178.05
IUPAC Name(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one
SMILESO=C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3-,4+,5-/m1/s1
InChIKeyPHOQVHQSTUBQQK-SQOUGZDYSA-N
XLogP-3.01
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.14
LogP ≤ 5-3.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

Gluconic Acid
CID 10690
Galactaric acid
CID 3037582
Pectin
CID 441476
Gluconic acid, monopotassium salt
CID 16760467
Glucuronolactone
CID 92283
Glucaric Acid
CID 33037
Sodium Gluconate
CID 23672301
Galacturonic Acid
CID 84740
D-Glucuronic Acid
CID 94715
Lactobionic Acid
CID 7314
Galactonic acid
CID 128869
L-Gulonic acid, gamma-lactone
CID 439373

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one?
The IUPAC name of (3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one (CID 7027) is (3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one.
What is the SMILES notation for (3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one?
The canonical SMILES for (3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one is O=C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one?
The InChIKey is PHOQVHQSTUBQQK-SQOUGZDYSA-N. The full InChI is InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3-,4+,5-/m1/s1.
What are the key properties of (3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one?
(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one has a molecular weight of 178.14 g/mol, XLogP of -3.01, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one is sourced from PubChem (CID 7027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).