(3S,4S)-2-methylideneoxolane-3,4-diol

C5H8O3 — CID 58602405

IUPAC(3S,4S)-2-methylideneoxolane-3,4-diol
SMILESC=C1OC[C@H](O)[C@@H]1O
InChIInChI=1S/C5H8O3/c1-3-5(7)4(6)2-8-3/h4-7H,1-2H2/t4-,5+/m0/s1
InChIKeySIRMHEXXKZVLKM-CRCLSJGQSA-N
MW116.12 g/mol
LogP-0.75
Rot. Bonds

About (3S,4S)-2-methylideneoxolane-3,4-diol

(3S,4S)-2-methylideneoxolane-3,4-diol (PubChem CID 58602405) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is (3S,4S)-2-methylideneoxolane-3,4-diol.

Molecular Properties

Compound Name(3S,4S)-2-methylideneoxolane-3,4-diol
PubChem CID58602405
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Name(3S,4S)-2-methylideneoxolane-3,4-diol
SMILESC=C1OC[C@H](O)[C@@H]1O
InChIInChI=1S/C5H8O3/c1-3-5(7)4(6)2-8-3/h4-7H,1-2H2/t4-,5+/m0/s1
InChIKeySIRMHEXXKZVLKM-CRCLSJGQSA-N
XLogP-0.75
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Ribal
CID 126055
(3S)-4-methylideneoxolan-3-ol
CID 89323980
2,5-Anhydro-4-deoxy-D-erythro-pent-4-enitol
CID 49867562
(2R,3S,4S)-2-(hydroxymethyl)-5-(hydroxymethylidene)oxolane-3,4-diol
CID 56947165
1,4-anhydro-D-erythro-pent-1-enitol
CID 49867561
(2E,3S,4R,5S)-2-(fluoromethylidene)-5-methyloxolane-3,4-diol
CID 134853658
(2Z,3S,4R,5S)-2-(fluoromethylidene)-5-methyloxolane-3,4-diol
CID 134969754
(2S,3R,4S)-2-methyl-5-methylideneoxolane-3,4-diol
CID 60105624
CID 59488600
CID 59488600
4-Fluoro-2-(hydroxymethyl)-2,3-dihydrofuran-3-ol
CID 89008544
4-Fluoro-4-methyl-2-methylideneoxolan-3-ol
CID 142721456
(Z)-2-(hydroxymethylene)tetrahydrofuran-3,4-diol
CID 134692637

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-2-methylideneoxolane-3,4-diol?
The IUPAC name of (3S,4S)-2-methylideneoxolane-3,4-diol (CID 58602405) is (3S,4S)-2-methylideneoxolane-3,4-diol.
What is the SMILES notation for (3S,4S)-2-methylideneoxolane-3,4-diol?
The canonical SMILES for (3S,4S)-2-methylideneoxolane-3,4-diol is C=C1OC[C@H](O)[C@@H]1O.
What is the InChIKey of (3S,4S)-2-methylideneoxolane-3,4-diol?
The InChIKey is SIRMHEXXKZVLKM-CRCLSJGQSA-N. The full InChI is InChI=1S/C5H8O3/c1-3-5(7)4(6)2-8-3/h4-7H,1-2H2/t4-,5+/m0/s1.
What are the key properties of (3S,4S)-2-methylideneoxolane-3,4-diol?
(3S,4S)-2-methylideneoxolane-3,4-diol has a molecular weight of 116.12 g/mol, XLogP of -0.75, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-2-methylideneoxolane-3,4-diol is sourced from PubChem (CID 58602405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).