(4S,5S)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol

C6H12O6 — CID 71751872

IUPAC(4S,5S)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILESOCC1(O)OC[C@H](O)[C@H](O)C1O
InChIInChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5?,6?/m0/s1
InChIKeyLKDRXBCSQODPBY-LRUBVUKESA-N
MW180.16 g/mol
LogP-3.22
Rot. Bonds1

About (4S,5S)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol

(4S,5S)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol (PubChem CID 71751872) has the molecular formula C6H12O6 and a molecular weight of 180.16 g/mol. Its IUPAC name is (4S,5S)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(4S,5S)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
PubChem CID71751872
Molecular FormulaC6H12O6
Molecular Weight180.16 g/mol
Exact Mass180.06
IUPAC Name(4S,5S)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILESOCC1(O)OC[C@H](O)[C@H](O)C1O
InChIInChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5?,6?/m0/s1
InChIKeyLKDRXBCSQODPBY-LRUBVUKESA-N
XLogP-3.22
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
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 (4S,5S)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The IUPAC name of (4S,5S)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol (CID 71751872) is (4S,5S)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for (4S,5S)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The canonical SMILES for (4S,5S)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol is OCC1(O)OC[C@H](O)[C@H](O)C1O.
What is the InChIKey of (4S,5S)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The InChIKey is LKDRXBCSQODPBY-LRUBVUKESA-N. The full InChI is InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5?,6?/m0/s1.
What are the key properties of (4S,5S)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol?
(4S,5S)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol has a molecular weight of 180.16 g/mol, XLogP of -3.22, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 71751872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).