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

C6H8O6 — CID 46173037

IUPAC(3R,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)-3,4-dihydropyran-2-one
SMILESO=C1OC(CO)=C(O)[C@H](O)[C@H]1O
InChIInChI=1S/C6H8O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h4-5,7-10H,1H2/t4-,5+/m0/s1
InChIKeyNBOJSIQDXKOVPG-CRCLSJGQSA-N
MW176.12 g/mol
LogP-1.97
Rot. Bonds1

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

(3R,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)-3,4-dihydropyran-2-one (PubChem CID 46173037) has the molecular formula C6H8O6 and a molecular weight of 176.12 g/mol. Its IUPAC name is (3R,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)-3,4-dihydropyran-2-one.

Molecular Properties

Compound Name(3R,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)-3,4-dihydropyran-2-one
PubChem CID46173037
Molecular FormulaC6H8O6
Molecular Weight176.12 g/mol
Exact Mass176.03
IUPAC Name(3R,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)-3,4-dihydropyran-2-one
SMILESO=C1OC(CO)=C(O)[C@H](O)[C@H]1O
InChIInChI=1S/C6H8O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h4-5,7-10H,1H2/t4-,5+/m0/s1
InChIKeyNBOJSIQDXKOVPG-CRCLSJGQSA-N
XLogP-1.97
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.12
LogP ≤ 5-1.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)-3,4-dihydropyran-2-one?
The IUPAC name of (3R,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)-3,4-dihydropyran-2-one (CID 46173037) is (3R,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)-3,4-dihydropyran-2-one.
What is the SMILES notation for (3R,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)-3,4-dihydropyran-2-one?
The canonical SMILES for (3R,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)-3,4-dihydropyran-2-one is O=C1OC(CO)=C(O)[C@H](O)[C@H]1O.
What is the InChIKey of (3R,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)-3,4-dihydropyran-2-one?
The InChIKey is NBOJSIQDXKOVPG-CRCLSJGQSA-N. The full InChI is InChI=1S/C6H8O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h4-5,7-10H,1H2/t4-,5+/m0/s1.
What are the key properties of (3R,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)-3,4-dihydropyran-2-one?
(3R,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)-3,4-dihydropyran-2-one has a molecular weight of 176.12 g/mol, XLogP of -1.97, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)-3,4-dihydropyran-2-one is sourced from PubChem (CID 46173037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).