2-(oxiran-2-ylmethoxymethyl)oxirane;1,3,4,5,6-pentahydroxyhexan-2-one

C12H22O9 — CID 22319949

IUPAC2-(oxiran-2-ylmethoxymethyl)oxirane;1,3,4,5,6-pentahydroxyhexan-2-one
SMILESC(OCC1CO1)C1CO1.O=C(CO)C(O)C(O)C(O)CO
InChIInChI=1S/C6H12O6.C6H10O3/c7-1-3(9)5(11)6(12)4(10)2-8;1(5-3-8-5)7-2-6-4-9-6/h3,5-9,11-12H,1-2H2;5-6H,1-4H2
InChIKeyWLCPDTOYBCVWIO-UHFFFAOYSA-N
MW310.30 g/mol
LogP-3.58
Rot. Bonds9

About 2-(oxiran-2-ylmethoxymethyl)oxirane;1,3,4,5,6-pentahydroxyhexan-2-one

2-(oxiran-2-ylmethoxymethyl)oxirane;1,3,4,5,6-pentahydroxyhexan-2-one (PubChem CID 22319949) has the molecular formula C12H22O9 and a molecular weight of 310.30 g/mol. Its IUPAC name is 2-(oxiran-2-ylmethoxymethyl)oxirane;1,3,4,5,6-pentahydroxyhexan-2-one.

Molecular Properties

Compound Name2-(oxiran-2-ylmethoxymethyl)oxirane;1,3,4,5,6-pentahydroxyhexan-2-one
PubChem CID22319949
Molecular FormulaC12H22O9
Molecular Weight310.30 g/mol
Exact Mass310.13
IUPAC Name2-(oxiran-2-ylmethoxymethyl)oxirane;1,3,4,5,6-pentahydroxyhexan-2-one
SMILESC(OCC1CO1)C1CO1.O=C(CO)C(O)C(O)C(O)CO
InChIInChI=1S/C6H12O6.C6H10O3/c7-1-3(9)5(11)6(12)4(10)2-8;1(5-3-8-5)7-2-6-4-9-6/h3,5-9,11-12H,1-2H2;5-6H,1-4H2
InChIKeyWLCPDTOYBCVWIO-UHFFFAOYSA-N
XLogP-3.58
TPSA152.51 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 5-3.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1,3,4,5,6-pentahydroxyhexan-2-one
CID 174437869
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;(3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one
CID 87261503
2-(oxiran-2-ylmethoxymethyl)oxirane;bis(propane-1,2,3-triol)
CID 23284067
carbamic acid;1,3,4,5,6-pentahydroxyhexan-2-one
CID 174808782
guanidine;(3R,4S,5R)-1,3,4,5,6-pentahydroxyhexan-2-one
CID 87184988
hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1,3,4,5,6-pentahydroxyhexan-2-one
CID 174485633
(3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one;zirconium(4+);tetraacetate
CID 22810842
2-(oxiran-2-ylmethoxymethyl)oxirane;propane-1,2,3-triol;prop-2-enoic acid
CID 87308425
(2S,3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol;(3S,4S,5R)-1,3,4,5,6-pentahydroxyhexan-2-one
CID 141491100
bis(2,3,4,5,6-pentahydroxyhexanal);1,3,4,5,6-pentahydroxyhexan-2-one
CID 174367583
(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal;(3R,4S,5R)-1,3,4,5,6-pentahydroxyhexan-2-one
CID 87376223
ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87071861

Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-ylmethoxymethyl)oxirane;1,3,4,5,6-pentahydroxyhexan-2-one?
The IUPAC name of 2-(oxiran-2-ylmethoxymethyl)oxirane;1,3,4,5,6-pentahydroxyhexan-2-one (CID 22319949) is 2-(oxiran-2-ylmethoxymethyl)oxirane;1,3,4,5,6-pentahydroxyhexan-2-one.
What is the SMILES notation for 2-(oxiran-2-ylmethoxymethyl)oxirane;1,3,4,5,6-pentahydroxyhexan-2-one?
The canonical SMILES for 2-(oxiran-2-ylmethoxymethyl)oxirane;1,3,4,5,6-pentahydroxyhexan-2-one is C(OCC1CO1)C1CO1.O=C(CO)C(O)C(O)C(O)CO.
What is the InChIKey of 2-(oxiran-2-ylmethoxymethyl)oxirane;1,3,4,5,6-pentahydroxyhexan-2-one?
The InChIKey is WLCPDTOYBCVWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O6.C6H10O3/c7-1-3(9)5(11)6(12)4(10)2-8;1(5-3-8-5)7-2-6-4-9-6/h3,5-9,11-12H,1-2H2;5-6H,1-4H2.
What are the key properties of 2-(oxiran-2-ylmethoxymethyl)oxirane;1,3,4,5,6-pentahydroxyhexan-2-one?
2-(oxiran-2-ylmethoxymethyl)oxirane;1,3,4,5,6-pentahydroxyhexan-2-one has a molecular weight of 310.30 g/mol, XLogP of -3.58, 9 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-ylmethoxymethyl)oxirane;1,3,4,5,6-pentahydroxyhexan-2-one is sourced from PubChem (CID 22319949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).