(2R,3S,4S)-5-(2-hydroxyethoxy)pentane-1,2,3,4-tetrol

C7H16O6 — CID 91491767

IUPAC(2R,3S,4S)-5-(2-hydroxyethoxy)pentane-1,2,3,4-tetrol
SMILESOCCOC[C@H](O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C7H16O6/c8-1-2-13-4-6(11)7(12)5(10)3-9/h5-12H,1-4H2/t5-,6+,7+/m1/s1
InChIKeyVLGVTTJRUSSTSA-VQVTYTSYSA-N
MW196.20 g/mol
LogP-2.93
Rot. Bonds7

About (2R,3S,4S)-5-(2-hydroxyethoxy)pentane-1,2,3,4-tetrol

(2R,3S,4S)-5-(2-hydroxyethoxy)pentane-1,2,3,4-tetrol (PubChem CID 91491767) has the molecular formula C7H16O6 and a molecular weight of 196.20 g/mol. Its IUPAC name is (2R,3S,4S)-5-(2-hydroxyethoxy)pentane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(2R,3S,4S)-5-(2-hydroxyethoxy)pentane-1,2,3,4-tetrol
PubChem CID91491767
Molecular FormulaC7H16O6
Molecular Weight196.20 g/mol
Exact Mass196.09
IUPAC Name(2R,3S,4S)-5-(2-hydroxyethoxy)pentane-1,2,3,4-tetrol
SMILESOCCOC[C@H](O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C7H16O6/c8-1-2-13-4-6(11)7(12)5(10)3-9/h5-12H,1-4H2/t5-,6+,7+/m1/s1
InChIKeyVLGVTTJRUSSTSA-VQVTYTSYSA-N
XLogP-2.93
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 5-2.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-5-(2-hydroxyethoxy)pentane-1,2,3,4-tetrol?
The IUPAC name of (2R,3S,4S)-5-(2-hydroxyethoxy)pentane-1,2,3,4-tetrol (CID 91491767) is (2R,3S,4S)-5-(2-hydroxyethoxy)pentane-1,2,3,4-tetrol.
What is the SMILES notation for (2R,3S,4S)-5-(2-hydroxyethoxy)pentane-1,2,3,4-tetrol?
The canonical SMILES for (2R,3S,4S)-5-(2-hydroxyethoxy)pentane-1,2,3,4-tetrol is OCCOC[C@H](O)[C@@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3S,4S)-5-(2-hydroxyethoxy)pentane-1,2,3,4-tetrol?
The InChIKey is VLGVTTJRUSSTSA-VQVTYTSYSA-N. The full InChI is InChI=1S/C7H16O6/c8-1-2-13-4-6(11)7(12)5(10)3-9/h5-12H,1-4H2/t5-,6+,7+/m1/s1.
What are the key properties of (2R,3S,4S)-5-(2-hydroxyethoxy)pentane-1,2,3,4-tetrol?
(2R,3S,4S)-5-(2-hydroxyethoxy)pentane-1,2,3,4-tetrol has a molecular weight of 196.20 g/mol, XLogP of -2.93, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-5-(2-hydroxyethoxy)pentane-1,2,3,4-tetrol is sourced from PubChem (CID 91491767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).