(3S,4S,5S,6S)-5,6-bis(hydroxymethyl)oxane-3,4-diol

C7H14O5 — CID 166946041

IUPAC(3S,4S,5S,6S)-5,6-bis(hydroxymethyl)oxane-3,4-diol
SMILESOC[C@H]1[C@H](O)[C@@H](O)CO[C@@H]1CO
InChIInChI=1S/C7H14O5/c8-1-4-6(2-9)12-3-5(10)7(4)11/h4-11H,1-3H2/t4-,5+,6-,7+/m1/s1
InChIKeyPRDCGUCRIPQGGT-UCROKIRRSA-N
MW178.18 g/mol
LogP-2.29
Rot. Bonds2

About (3S,4S,5S,6S)-5,6-bis(hydroxymethyl)oxane-3,4-diol

(3S,4S,5S,6S)-5,6-bis(hydroxymethyl)oxane-3,4-diol (PubChem CID 166946041) has the molecular formula C7H14O5 and a molecular weight of 178.18 g/mol. Its IUPAC name is (3S,4S,5S,6S)-5,6-bis(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(3S,4S,5S,6S)-5,6-bis(hydroxymethyl)oxane-3,4-diol
PubChem CID166946041
Molecular FormulaC7H14O5
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Name(3S,4S,5S,6S)-5,6-bis(hydroxymethyl)oxane-3,4-diol
SMILESOC[C@H]1[C@H](O)[C@@H](O)CO[C@@H]1CO
InChIInChI=1S/C7H14O5/c8-1-4-6(2-9)12-3-5(10)7(4)11/h4-11H,1-3H2/t4-,5+,6-,7+/m1/s1
InChIKeyPRDCGUCRIPQGGT-UCROKIRRSA-N
XLogP-2.29
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 5-2.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4S,5S,6S)-5,6-bis(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of (3S,4S,5S,6S)-5,6-bis(hydroxymethyl)oxane-3,4-diol (CID 166946041) is (3S,4S,5S,6S)-5,6-bis(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for (3S,4S,5S,6S)-5,6-bis(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for (3S,4S,5S,6S)-5,6-bis(hydroxymethyl)oxane-3,4-diol is OC[C@H]1[C@H](O)[C@@H](O)CO[C@@H]1CO.
What is the InChIKey of (3S,4S,5S,6S)-5,6-bis(hydroxymethyl)oxane-3,4-diol?
The InChIKey is PRDCGUCRIPQGGT-UCROKIRRSA-N. The full InChI is InChI=1S/C7H14O5/c8-1-4-6(2-9)12-3-5(10)7(4)11/h4-11H,1-3H2/t4-,5+,6-,7+/m1/s1.
What are the key properties of (3S,4S,5S,6S)-5,6-bis(hydroxymethyl)oxane-3,4-diol?
(3S,4S,5S,6S)-5,6-bis(hydroxymethyl)oxane-3,4-diol has a molecular weight of 178.18 g/mol, XLogP of -2.29, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5S,6S)-5,6-bis(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 166946041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).