(2S,3S,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4,5,6-tetrol

C6H10O6 — CID 16741013

IUPAC(2S,3S,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4,5,6-tetrol
SMILESOC[C@@H]1OC(O)=C(O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-4,7-11H,1H2/t2-,3+,4-/m0/s1
InChIKeyZMAKHBFMBBEKBJ-NUNKFHFFSA-N
MW178.14 g/mol
LogP-1.62
Rot. Bonds1

About (2S,3S,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4,5,6-tetrol

(2S,3S,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4,5,6-tetrol (PubChem CID 16741013) has the molecular formula C6H10O6 and a molecular weight of 178.14 g/mol. Its IUPAC name is (2S,3S,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4,5,6-tetrol.

Molecular Properties

Compound Name(2S,3S,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4,5,6-tetrol
PubChem CID16741013
Molecular FormulaC6H10O6
Molecular Weight178.14 g/mol
Exact Mass178.05
IUPAC Name(2S,3S,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4,5,6-tetrol
SMILESOC[C@@H]1OC(O)=C(O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-4,7-11H,1H2/t2-,3+,4-/m0/s1
InChIKeyZMAKHBFMBBEKBJ-NUNKFHFFSA-N
XLogP-1.62
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.14
LogP ≤ 5-1.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4,5,6-tetrol?
The IUPAC name of (2S,3S,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4,5,6-tetrol (CID 16741013) is (2S,3S,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4,5,6-tetrol.
What is the SMILES notation for (2S,3S,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4,5,6-tetrol?
The canonical SMILES for (2S,3S,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4,5,6-tetrol is OC[C@@H]1OC(O)=C(O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4,5,6-tetrol?
The InChIKey is ZMAKHBFMBBEKBJ-NUNKFHFFSA-N. The full InChI is InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-4,7-11H,1H2/t2-,3+,4-/m0/s1.
What are the key properties of (2S,3S,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4,5,6-tetrol?
(2S,3S,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4,5,6-tetrol has a molecular weight of 178.14 g/mol, XLogP of -1.62, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4,5,6-tetrol is sourced from PubChem (CID 16741013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).