2-methylideneoxane-3,4,5-triol

C6H10O4 — CID 18534363

IUPAC2-methylideneoxane-3,4,5-triol
SMILESC=C1OCC(O)C(O)C1O
InChIInChI=1S/C6H10O4/c1-3-5(8)6(9)4(7)2-10-3/h4-9H,1-2H2
InChIKeyLMVLBMPRWRCURB-UHFFFAOYSA-N
MW146.14 g/mol
LogP-1.39
Rot. Bonds

About 2-methylideneoxane-3,4,5-triol

2-methylideneoxane-3,4,5-triol (PubChem CID 18534363) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is 2-methylideneoxane-3,4,5-triol.

Molecular Properties

Compound Name2-methylideneoxane-3,4,5-triol
PubChem CID18534363
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name2-methylideneoxane-3,4,5-triol
SMILESC=C1OCC(O)C(O)C1O
InChIInChI=1S/C6H10O4/c1-3-5(8)6(9)4(7)2-10-3/h4-9H,1-2H2
InChIKeyLMVLBMPRWRCURB-UHFFFAOYSA-N
XLogP-1.39
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 5-1.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

D-Galactal
CID 2734735
D-(+)-Glucal
CID 2734736
Lichenan
CID 439241
d-Glucal
CID 114633
2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol
CID 89465
4-Methylideneoxan-3-ol
CID 12514388
1,5-Anhydro-D-Arabino-Hex-1-Enitol
CID 24885981
(2R,3S,4S)-2-(hydroxymethyl)-5-(hydroxymethylidene)oxolane-3,4-diol
CID 56947165
2,6-Anhydro-1-deoxygluco-hept-1-enitol
CID 188267
2,6-Anhydro-1-deoxygalacto-hept-1-enitol
CID 70004438
(3R,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol
CID 59658630
(2R,3S,4S)-2-(hydroxymethyl)-5-iodo-3,4-dihydro-2H-pyran-3,4-diol
CID 155943828

Frequently Asked Questions

What is the IUPAC name of 2-methylideneoxane-3,4,5-triol?
The IUPAC name of 2-methylideneoxane-3,4,5-triol (CID 18534363) is 2-methylideneoxane-3,4,5-triol.
What is the SMILES notation for 2-methylideneoxane-3,4,5-triol?
The canonical SMILES for 2-methylideneoxane-3,4,5-triol is C=C1OCC(O)C(O)C1O.
What is the InChIKey of 2-methylideneoxane-3,4,5-triol?
The InChIKey is LMVLBMPRWRCURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4/c1-3-5(8)6(9)4(7)2-10-3/h4-9H,1-2H2.
What are the key properties of 2-methylideneoxane-3,4,5-triol?
2-methylideneoxane-3,4,5-triol has a molecular weight of 146.14 g/mol, XLogP of -1.39, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylideneoxane-3,4,5-triol is sourced from PubChem (CID 18534363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).