(3R,4S,5S,6E)-6-(hydroxymethylidene)oxane-2,3,4,5-tetrol

C6H10O6 — CID 140782295

IUPAC(3R,4S,5S,6E)-6-(hydroxymethylidene)oxane-2,3,4,5-tetrol
SMILESO/C=C1/OC(O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h1,3-11H/b2-1+/t3-,4+,5-,6?/m1/s1
InChIKeyFGUXWAAERRVOAV-RCHDPMAWSA-N
MW178.14 g/mol
LogP-2.18
Rot. Bonds

About (3R,4S,5S,6E)-6-(hydroxymethylidene)oxane-2,3,4,5-tetrol

(3R,4S,5S,6E)-6-(hydroxymethylidene)oxane-2,3,4,5-tetrol (PubChem CID 140782295) has the molecular formula C6H10O6 and a molecular weight of 178.14 g/mol. Its IUPAC name is (3R,4S,5S,6E)-6-(hydroxymethylidene)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(3R,4S,5S,6E)-6-(hydroxymethylidene)oxane-2,3,4,5-tetrol
PubChem CID140782295
Molecular FormulaC6H10O6
Molecular Weight178.14 g/mol
Exact Mass178.05
IUPAC Name(3R,4S,5S,6E)-6-(hydroxymethylidene)oxane-2,3,4,5-tetrol
SMILESO/C=C1/OC(O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h1,3-11H/b2-1+/t3-,4+,5-,6?/m1/s1
InChIKeyFGUXWAAERRVOAV-RCHDPMAWSA-N
XLogP-2.18
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.14
LogP ≤ 5-2.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(2S,3R,4S,5R)-6-propylideneoxane-2,3,4,5-tetrol
CID 141190130
(5S)-3,4,5,6-tetrahydroxyoxan-2-one
CID 135075644
(3S,4S,5R,6R)-3,4,5,6,7-pentahydroxyoxepan-2-one
CID 175693945
CID 167491210
CID 167491210
(2E,3R,4S,5S,6R)-2-ethylidene-6-(hydroxymethyl)oxane-3,4,5-triol
CID 135033372
[3-(hydroxymethylidene)oxiran-2-yl]methanol
CID 156773085
(3R,4S,5S)-3-methoxy-6-methylideneoxane-2,4,5-triol
CID 67680565
(3S,4S)-oxolane-2,3,4,5-tetrol
CID 89085944
4,5,6-trihydroxy-2-methylideneoxan-3-one
CID 90396939
(3R,6S,6aS)-2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 71317103
(2S,3R,3aS,6aS)-2,3,6-trihydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 123134521
(3R,4R,5S)-6,6-dimethyloxane-2,3,4,5-tetrol
CID 174689422

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S,6E)-6-(hydroxymethylidene)oxane-2,3,4,5-tetrol?
The IUPAC name of (3R,4S,5S,6E)-6-(hydroxymethylidene)oxane-2,3,4,5-tetrol (CID 140782295) is (3R,4S,5S,6E)-6-(hydroxymethylidene)oxane-2,3,4,5-tetrol.
What is the SMILES notation for (3R,4S,5S,6E)-6-(hydroxymethylidene)oxane-2,3,4,5-tetrol?
The canonical SMILES for (3R,4S,5S,6E)-6-(hydroxymethylidene)oxane-2,3,4,5-tetrol is O/C=C1/OC(O)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (3R,4S,5S,6E)-6-(hydroxymethylidene)oxane-2,3,4,5-tetrol?
The InChIKey is FGUXWAAERRVOAV-RCHDPMAWSA-N. The full InChI is InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h1,3-11H/b2-1+/t3-,4+,5-,6?/m1/s1.
What are the key properties of (3R,4S,5S,6E)-6-(hydroxymethylidene)oxane-2,3,4,5-tetrol?
(3R,4S,5S,6E)-6-(hydroxymethylidene)oxane-2,3,4,5-tetrol has a molecular weight of 178.14 g/mol, XLogP of -2.18, 0 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S,6E)-6-(hydroxymethylidene)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 140782295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).