(3S,4R,5R)-3,4,5-trihydroxyoxan-2-one

C5H8O5 — CID 22866451

IUPAC(3S,4R,5R)-3,4,5-trihydroxyoxan-2-one
SMILESO=C1OC[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C5H8O5/c6-2-1-10-5(9)4(8)3(2)7/h2-4,6-8H,1H2/t2-,3-,4+/m1/s1
InChIKeyXXBSUZSONOQQGK-JJYYJPOSSA-N
MW148.11 g/mol
LogP-2.37
Rot. Bonds

About (3S,4R,5R)-3,4,5-trihydroxyoxan-2-one

(3S,4R,5R)-3,4,5-trihydroxyoxan-2-one (PubChem CID 22866451) has the molecular formula C5H8O5 and a molecular weight of 148.11 g/mol. Its IUPAC name is (3S,4R,5R)-3,4,5-trihydroxyoxan-2-one.

Molecular Properties

Compound Name(3S,4R,5R)-3,4,5-trihydroxyoxan-2-one
PubChem CID22866451
Molecular FormulaC5H8O5
Molecular Weight148.11 g/mol
Exact Mass148.04
IUPAC Name(3S,4R,5R)-3,4,5-trihydroxyoxan-2-one
SMILESO=C1OC[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C5H8O5/c6-2-1-10-5(9)4(8)3(2)7/h2-4,6-8H,1H2/t2-,3-,4+/m1/s1
InChIKeyXXBSUZSONOQQGK-JJYYJPOSSA-N
XLogP-2.37
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.11
LogP ≤ 5-2.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R)-3,4,5-trihydroxyoxan-2-one?
The IUPAC name of (3S,4R,5R)-3,4,5-trihydroxyoxan-2-one (CID 22866451) is (3S,4R,5R)-3,4,5-trihydroxyoxan-2-one.
What is the SMILES notation for (3S,4R,5R)-3,4,5-trihydroxyoxan-2-one?
The canonical SMILES for (3S,4R,5R)-3,4,5-trihydroxyoxan-2-one is O=C1OC[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (3S,4R,5R)-3,4,5-trihydroxyoxan-2-one?
The InChIKey is XXBSUZSONOQQGK-JJYYJPOSSA-N. The full InChI is InChI=1S/C5H8O5/c6-2-1-10-5(9)4(8)3(2)7/h2-4,6-8H,1H2/t2-,3-,4+/m1/s1.
What are the key properties of (3S,4R,5R)-3,4,5-trihydroxyoxan-2-one?
(3S,4R,5R)-3,4,5-trihydroxyoxan-2-one has a molecular weight of 148.11 g/mol, XLogP of -2.37, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-3,4,5-trihydroxyoxan-2-one is sourced from PubChem (CID 22866451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).