(2S,3R,4S,5R)-6-propylideneoxane-2,3,4,5-tetrol

C8H14O5 — CID 141190130

IUPAC(2S,3R,4S,5R)-6-propylideneoxane-2,3,4,5-tetrol
SMILESCCC=C1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C8H14O5/c1-2-3-4-5(9)6(10)7(11)8(12)13-4/h3,5-12H,2H2,1H3/t5-,6-,7+,8-/m0/s1
InChIKeyGDQRVPHJDKZOKF-HSNKUXOKSA-N
MW190.19 g/mol
LogP-1.29
Rot. Bonds1

About (2S,3R,4S,5R)-6-propylideneoxane-2,3,4,5-tetrol

(2S,3R,4S,5R)-6-propylideneoxane-2,3,4,5-tetrol (PubChem CID 141190130) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is (2S,3R,4S,5R)-6-propylideneoxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2S,3R,4S,5R)-6-propylideneoxane-2,3,4,5-tetrol
PubChem CID141190130
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Name(2S,3R,4S,5R)-6-propylideneoxane-2,3,4,5-tetrol
SMILESCCC=C1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C8H14O5/c1-2-3-4-5(9)6(10)7(11)8(12)13-4/h3,5-12H,2H2,1H3/t5-,6-,7+,8-/m0/s1
InChIKeyGDQRVPHJDKZOKF-HSNKUXOKSA-N
XLogP-1.29
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 5-1.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4S,5S,6E)-6-(hydroxymethylidene)oxane-2,3,4,5-tetrol
CID 140782295
CID 167491210
CID 167491210
(5S)-3,4,5,6-tetrahydroxyoxan-2-one
CID 135075644
(2E,3R,4S,5S,6R)-2-ethylidene-6-(hydroxymethyl)oxane-3,4,5-triol
CID 135033372
(3S,4S,5R,6R)-3,4,5,6,7-pentahydroxyoxepan-2-one
CID 175693945
6-ethyl-3,4,5-trihydroxyoxan-2-one
CID 123675946
(3R,4S,5R)-5-ethyloxolane-2,3,4-triol
CID 59169178
(2R,5S)-6-ethyloxane-2,3,4,5-tetrol
CID 163614233
(2R,6S)-6-ethyloxane-2,3,4,5-tetrol
CID 138718011
(2S,3R,4S,5S,6R)-6-ethyloxane-2,3,4,5-tetrol
CID 58340219
(6R)-6-ethyloxane-2,3,4,5-tetrol
CID 59974126
2-(hydroxymethyl)-6-propylideneoxan-4-ol
CID 142150187

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-6-propylideneoxane-2,3,4,5-tetrol?
The IUPAC name of (2S,3R,4S,5R)-6-propylideneoxane-2,3,4,5-tetrol (CID 141190130) is (2S,3R,4S,5R)-6-propylideneoxane-2,3,4,5-tetrol.
What is the SMILES notation for (2S,3R,4S,5R)-6-propylideneoxane-2,3,4,5-tetrol?
The canonical SMILES for (2S,3R,4S,5R)-6-propylideneoxane-2,3,4,5-tetrol is CCC=C1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4S,5R)-6-propylideneoxane-2,3,4,5-tetrol?
The InChIKey is GDQRVPHJDKZOKF-HSNKUXOKSA-N. The full InChI is InChI=1S/C8H14O5/c1-2-3-4-5(9)6(10)7(11)8(12)13-4/h3,5-12H,2H2,1H3/t5-,6-,7+,8-/m0/s1.
What are the key properties of (2S,3R,4S,5R)-6-propylideneoxane-2,3,4,5-tetrol?
(2S,3R,4S,5R)-6-propylideneoxane-2,3,4,5-tetrol has a molecular weight of 190.19 g/mol, XLogP of -1.29, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-6-propylideneoxane-2,3,4,5-tetrol is sourced from PubChem (CID 141190130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).