(2S,3S,4R,5R)-2-propoxyoxane-2,3,4,5-tetrol

C8H16O6 — CID 87130889

IUPAC(2S,3S,4R,5R)-2-propoxyoxane-2,3,4,5-tetrol
SMILESCCCO[C@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H16O6/c1-2-3-13-8(12)7(11)6(10)5(9)4-14-8/h5-7,9-12H,2-4H2,1H3/t5-,6-,7+,8+/m1/s1
InChIKeyKJNRHAMZVRMAMV-NGJRWZKOSA-N
MW208.21 g/mol
LogP-1.83
Rot. Bonds3

About (2S,3S,4R,5R)-2-propoxyoxane-2,3,4,5-tetrol

(2S,3S,4R,5R)-2-propoxyoxane-2,3,4,5-tetrol (PubChem CID 87130889) has the molecular formula C8H16O6 and a molecular weight of 208.21 g/mol. Its IUPAC name is (2S,3S,4R,5R)-2-propoxyoxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2S,3S,4R,5R)-2-propoxyoxane-2,3,4,5-tetrol
PubChem CID87130889
Molecular FormulaC8H16O6
Molecular Weight208.21 g/mol
Exact Mass208.09
IUPAC Name(2S,3S,4R,5R)-2-propoxyoxane-2,3,4,5-tetrol
SMILESCCCO[C@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H16O6/c1-2-3-13-8(12)7(11)6(10)5(9)4-14-8/h5-7,9-12H,2-4H2,1H3/t5-,6-,7+,8+/m1/s1
InChIKeyKJNRHAMZVRMAMV-NGJRWZKOSA-N
XLogP-1.83
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 5-1.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R)-2-propoxyoxane-2,3,4,5-tetrol?
The IUPAC name of (2S,3S,4R,5R)-2-propoxyoxane-2,3,4,5-tetrol (CID 87130889) is (2S,3S,4R,5R)-2-propoxyoxane-2,3,4,5-tetrol.
What is the SMILES notation for (2S,3S,4R,5R)-2-propoxyoxane-2,3,4,5-tetrol?
The canonical SMILES for (2S,3S,4R,5R)-2-propoxyoxane-2,3,4,5-tetrol is CCCO[C@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4R,5R)-2-propoxyoxane-2,3,4,5-tetrol?
The InChIKey is KJNRHAMZVRMAMV-NGJRWZKOSA-N. The full InChI is InChI=1S/C8H16O6/c1-2-3-13-8(12)7(11)6(10)5(9)4-14-8/h5-7,9-12H,2-4H2,1H3/t5-,6-,7+,8+/m1/s1.
What are the key properties of (2S,3S,4R,5R)-2-propoxyoxane-2,3,4,5-tetrol?
(2S,3S,4R,5R)-2-propoxyoxane-2,3,4,5-tetrol has a molecular weight of 208.21 g/mol, XLogP of -1.83, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-2-propoxyoxane-2,3,4,5-tetrol is sourced from PubChem (CID 87130889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).