(3S,4S)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-one

C5H8O6 — CID 131122985

IUPAC(3S,4S)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-one
SMILESO=C1OC(O)(CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C5H8O6/c6-1-5(10)3(8)2(7)4(9)11-5/h2-3,6-8,10H,1H2/t2-,3-,5?/m0/s1
InChIKeyKTTLUGBOAIMATR-YCZCMMEYSA-N
MW164.11 g/mol
LogP-3.05
Rot. Bonds1

About (3S,4S)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-one

(3S,4S)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-one (PubChem CID 131122985) has the molecular formula C5H8O6 and a molecular weight of 164.11 g/mol. Its IUPAC name is (3S,4S)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-one.

Molecular Properties

Compound Name(3S,4S)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-one
PubChem CID131122985
Molecular FormulaC5H8O6
Molecular Weight164.11 g/mol
Exact Mass164.03
IUPAC Name(3S,4S)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-one
SMILESO=C1OC(O)(CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C5H8O6/c6-1-5(10)3(8)2(7)4(9)11-5/h2-3,6-8,10H,1H2/t2-,3-,5?/m0/s1
InChIKeyKTTLUGBOAIMATR-YCZCMMEYSA-N
XLogP-3.05
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.11
LogP ≤ 5-3.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-one?
The IUPAC name of (3S,4S)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-one (CID 131122985) is (3S,4S)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-one.
What is the SMILES notation for (3S,4S)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-one?
The canonical SMILES for (3S,4S)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-one is O=C1OC(O)(CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (3S,4S)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-one?
The InChIKey is KTTLUGBOAIMATR-YCZCMMEYSA-N. The full InChI is InChI=1S/C5H8O6/c6-1-5(10)3(8)2(7)4(9)11-5/h2-3,6-8,10H,1H2/t2-,3-,5?/m0/s1.
What are the key properties of (3S,4S)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-one?
(3S,4S)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-one has a molecular weight of 164.11 g/mol, XLogP of -3.05, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-one is sourced from PubChem (CID 131122985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).