(3S,4S)-oxolane-2,3,4,5-tetrol

C4H8O5 — CID 89085944

IUPAC(3S,4S)-oxolane-2,3,4,5-tetrol
SMILESOC1OC(O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C4H8O5/c5-1-2(6)4(8)9-3(1)7/h1-8H/t1-,2-,3?,4?/m0/s1
InChIKeyKEJOLGAIPQIPDJ-CMSHZVMTSA-N
MW136.10 g/mol
LogP-2.62
Rot. Bonds

About (3S,4S)-oxolane-2,3,4,5-tetrol

(3S,4S)-oxolane-2,3,4,5-tetrol (PubChem CID 89085944) has the molecular formula C4H8O5 and a molecular weight of 136.10 g/mol. Its IUPAC name is (3S,4S)-oxolane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(3S,4S)-oxolane-2,3,4,5-tetrol
PubChem CID89085944
Molecular FormulaC4H8O5
Molecular Weight136.10 g/mol
Exact Mass136.04
IUPAC Name(3S,4S)-oxolane-2,3,4,5-tetrol
SMILESOC1OC(O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C4H8O5/c5-1-2(6)4(8)9-3(1)7/h1-8H/t1-,2-,3?,4?/m0/s1
InChIKeyKEJOLGAIPQIPDJ-CMSHZVMTSA-N
XLogP-2.62
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.10
LogP ≤ 5-2.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-5-methyloxolane-2,3,4-triol
CID 59335588
(3S,4R,5S,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol
CID 101369112
(2R,3R,4S,5R,6R)-6-methyloxane-2,3,4,5-tetrol;(2R,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol
CID 129314639
CID 171369816
CID 171369816
(3S,4R,5R)-6-methyloxane-2,3,4,5-tetrol
CID 59897521
(2S,3S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 89313516
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855
(3R,4R,5R,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol
CID 90472741
(2S,3R,4S,5R,6S)-6-aminooxane-2,3,4,5-tetrol
CID 134274851
(2R,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)oxane-2,3,4,5-tetrol
CID 11344362
(2S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 156615593
(5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 59445439

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-oxolane-2,3,4,5-tetrol?
The IUPAC name of (3S,4S)-oxolane-2,3,4,5-tetrol (CID 89085944) is (3S,4S)-oxolane-2,3,4,5-tetrol.
What is the SMILES notation for (3S,4S)-oxolane-2,3,4,5-tetrol?
The canonical SMILES for (3S,4S)-oxolane-2,3,4,5-tetrol is OC1OC(O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (3S,4S)-oxolane-2,3,4,5-tetrol?
The InChIKey is KEJOLGAIPQIPDJ-CMSHZVMTSA-N. The full InChI is InChI=1S/C4H8O5/c5-1-2(6)4(8)9-3(1)7/h1-8H/t1-,2-,3?,4?/m0/s1.
What are the key properties of (3S,4S)-oxolane-2,3,4,5-tetrol?
(3S,4S)-oxolane-2,3,4,5-tetrol has a molecular weight of 136.10 g/mol, XLogP of -2.62, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-oxolane-2,3,4,5-tetrol is sourced from PubChem (CID 89085944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).