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

C8H16O5 — CID 10104030

IUPAC(3R,4S,5R)-4-propoxyoxane-2,3,5-triol
SMILESCCCO[C@H]1[C@H](O)COC(O)[C@@H]1O
InChIInChI=1S/C8H16O5/c1-2-3-12-7-5(9)4-13-8(11)6(7)10/h5-11H,2-4H2,1H3/t5-,6-,7+,8?/m1/s1
InChIKeyZDCUEAYVWOIHKO-HBFKVTOISA-N
MW192.21 g/mol
LogP-1.15
Rot. Bonds3

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

(3R,4S,5R)-4-propoxyoxane-2,3,5-triol (PubChem CID 10104030) has the molecular formula C8H16O5 and a molecular weight of 192.21 g/mol. Its IUPAC name is (3R,4S,5R)-4-propoxyoxane-2,3,5-triol.

Molecular Properties

Compound Name(3R,4S,5R)-4-propoxyoxane-2,3,5-triol
PubChem CID10104030
Molecular FormulaC8H16O5
Molecular Weight192.21 g/mol
Exact Mass192.10
IUPAC Name(3R,4S,5R)-4-propoxyoxane-2,3,5-triol
SMILESCCCO[C@H]1[C@H](O)COC(O)[C@@H]1O
InChIInChI=1S/C8H16O5/c1-2-3-12-7-5(9)4-13-8(11)6(7)10/h5-11H,2-4H2,1H3/t5-,6-,7+,8?/m1/s1
InChIKeyZDCUEAYVWOIHKO-HBFKVTOISA-N
XLogP-1.15
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-4-propoxyoxane-2,3,5-triol?
The IUPAC name of (3R,4S,5R)-4-propoxyoxane-2,3,5-triol (CID 10104030) is (3R,4S,5R)-4-propoxyoxane-2,3,5-triol.
What is the SMILES notation for (3R,4S,5R)-4-propoxyoxane-2,3,5-triol?
The canonical SMILES for (3R,4S,5R)-4-propoxyoxane-2,3,5-triol is CCCO[C@H]1[C@H](O)COC(O)[C@@H]1O.
What is the InChIKey of (3R,4S,5R)-4-propoxyoxane-2,3,5-triol?
The InChIKey is ZDCUEAYVWOIHKO-HBFKVTOISA-N. The full InChI is InChI=1S/C8H16O5/c1-2-3-12-7-5(9)4-13-8(11)6(7)10/h5-11H,2-4H2,1H3/t5-,6-,7+,8?/m1/s1.
What are the key properties of (3R,4S,5R)-4-propoxyoxane-2,3,5-triol?
(3R,4S,5R)-4-propoxyoxane-2,3,5-triol has a molecular weight of 192.21 g/mol, XLogP of -1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-4-propoxyoxane-2,3,5-triol is sourced from PubChem (CID 10104030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).