azane;1,3,4,5,6-pentahydroxyhexan-2-one

C6H15NO6 — CID 22315777

IUPACazane;1,3,4,5,6-pentahydroxyhexan-2-one
SMILESN.O=C(CO)C(O)C(O)C(O)CO
InChIInChI=1S/C6H12O6.H3N/c7-1-3(9)5(11)6(12)4(10)2-8;/h3,5-9,11-12H,1-2H2;1H3
InChIKeyKGHNWUSKWGTNAA-UHFFFAOYSA-N
MW197.19 g/mol
LogP-3.22
Rot. Bonds5

About azane;1,3,4,5,6-pentahydroxyhexan-2-one

azane;1,3,4,5,6-pentahydroxyhexan-2-one (PubChem CID 22315777) has the molecular formula C6H15NO6 and a molecular weight of 197.19 g/mol. Its IUPAC name is azane;1,3,4,5,6-pentahydroxyhexan-2-one.

Molecular Properties

Compound Nameazane;1,3,4,5,6-pentahydroxyhexan-2-one
PubChem CID22315777
Molecular FormulaC6H15NO6
Molecular Weight197.19 g/mol
Exact Mass197.09
IUPAC Nameazane;1,3,4,5,6-pentahydroxyhexan-2-one
SMILESN.O=C(CO)C(O)C(O)C(O)CO
InChIInChI=1S/C6H12O6.H3N/c7-1-3(9)5(11)6(12)4(10)2-8;/h3,5-9,11-12H,1-2H2;1H3
InChIKeyKGHNWUSKWGTNAA-UHFFFAOYSA-N
XLogP-3.22
TPSA153.22 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500197.19
LogP ≤ 5-3.22
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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Related Compounds

1,3,4,5,6-pentahydroxyhexan-2-one
CID 174437869
(3S,4R,5R)-1,3,4,5,6-pentahydroxy(2,5-13C2)hexan-2-one
CID 131873541
iron(3+);bis((3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one)
CID 157392156
(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
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
(3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one;zirconium(4+);tetraacetate
CID 22810842
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
(3S,4S,5R)-1,3,4,5,6-pentahydroxyhexan-2-one;prop-2-enamide
CID 87643874
hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;1,3,4,5,6-pentahydroxyhexan-2-one
CID 174485633
(3R,4R)-1,3,4,5-tetrahydroxy(113C)pentan-2-one
CID 90469716

Frequently Asked Questions

What is the IUPAC name of azane;1,3,4,5,6-pentahydroxyhexan-2-one?
The IUPAC name of azane;1,3,4,5,6-pentahydroxyhexan-2-one (CID 22315777) is azane;1,3,4,5,6-pentahydroxyhexan-2-one.
What is the SMILES notation for azane;1,3,4,5,6-pentahydroxyhexan-2-one?
The canonical SMILES for azane;1,3,4,5,6-pentahydroxyhexan-2-one is N.O=C(CO)C(O)C(O)C(O)CO.
What is the InChIKey of azane;1,3,4,5,6-pentahydroxyhexan-2-one?
The InChIKey is KGHNWUSKWGTNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O6.H3N/c7-1-3(9)5(11)6(12)4(10)2-8;/h3,5-9,11-12H,1-2H2;1H3.
What are the key properties of azane;1,3,4,5,6-pentahydroxyhexan-2-one?
azane;1,3,4,5,6-pentahydroxyhexan-2-one has a molecular weight of 197.19 g/mol, XLogP of -3.22, 5 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1,3,4,5,6-pentahydroxyhexan-2-one is sourced from PubChem (CID 22315777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).