(2R,3R,4S,5S)-4,5-bis(hydroxymethyl)oxolane-2,3,4-triol

C6H12O6 — CID 57254767

IUPAC(2R,3R,4S,5S)-4,5-bis(hydroxymethyl)oxolane-2,3,4-triol
SMILESOC[C@@H]1O[C@@H](O)[C@H](O)[C@@]1(O)CO
InChIInChI=1S/C6H12O6/c7-1-3-6(11,2-8)4(9)5(10)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6+/m0/s1
InChIKeyDIXPFGZMLXBPCC-UNTFVMJOSA-N
MW180.16 g/mol
LogP-3.22
Rot. Bonds2

About (2R,3R,4S,5S)-4,5-bis(hydroxymethyl)oxolane-2,3,4-triol

(2R,3R,4S,5S)-4,5-bis(hydroxymethyl)oxolane-2,3,4-triol (PubChem CID 57254767) has the molecular formula C6H12O6 and a molecular weight of 180.16 g/mol. Its IUPAC name is (2R,3R,4S,5S)-4,5-bis(hydroxymethyl)oxolane-2,3,4-triol.

Molecular Properties

Compound Name(2R,3R,4S,5S)-4,5-bis(hydroxymethyl)oxolane-2,3,4-triol
PubChem CID57254767
Molecular FormulaC6H12O6
Molecular Weight180.16 g/mol
Exact Mass180.06
IUPAC Name(2R,3R,4S,5S)-4,5-bis(hydroxymethyl)oxolane-2,3,4-triol
SMILESOC[C@@H]1O[C@@H](O)[C@H](O)[C@@]1(O)CO
InChIInChI=1S/C6H12O6/c7-1-3-6(11,2-8)4(9)5(10)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6+/m0/s1
InChIKeyDIXPFGZMLXBPCC-UNTFVMJOSA-N
XLogP-3.22
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S)-4,5-bis(hydroxymethyl)oxolane-2,3,4-triol?
The IUPAC name of (2R,3R,4S,5S)-4,5-bis(hydroxymethyl)oxolane-2,3,4-triol (CID 57254767) is (2R,3R,4S,5S)-4,5-bis(hydroxymethyl)oxolane-2,3,4-triol.
What is the SMILES notation for (2R,3R,4S,5S)-4,5-bis(hydroxymethyl)oxolane-2,3,4-triol?
The canonical SMILES for (2R,3R,4S,5S)-4,5-bis(hydroxymethyl)oxolane-2,3,4-triol is OC[C@@H]1O[C@@H](O)[C@H](O)[C@@]1(O)CO.
What is the InChIKey of (2R,3R,4S,5S)-4,5-bis(hydroxymethyl)oxolane-2,3,4-triol?
The InChIKey is DIXPFGZMLXBPCC-UNTFVMJOSA-N. The full InChI is InChI=1S/C6H12O6/c7-1-3-6(11,2-8)4(9)5(10)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6+/m0/s1.
What are the key properties of (2R,3R,4S,5S)-4,5-bis(hydroxymethyl)oxolane-2,3,4-triol?
(2R,3R,4S,5S)-4,5-bis(hydroxymethyl)oxolane-2,3,4-triol has a molecular weight of 180.16 g/mol, XLogP of -3.22, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S)-4,5-bis(hydroxymethyl)oxolane-2,3,4-triol is sourced from PubChem (CID 57254767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).