azane;nitric acid;2,3,4,5-tetrahydroxyhexanal

C6H16N2O8 — CID 174863024

IUPACazane;nitric acid;2,3,4,5-tetrahydroxyhexanal
SMILESCC(O)C(O)C(O)C(O)C=O.N.O=[N+]([O-])O
InChIInChI=1S/C6H12O5.HNO3.H3N/c1-3(8)5(10)6(11)4(9)2-7;2-1(3)4;/h2-6,8-11H,1H3;(H,2,3,4);1H3
InChIKeyMFDASMNSTOHGAL-UHFFFAOYSA-N
MW244.20 g/mol
LogP-2.54
Rot. Bonds4

About azane;nitric acid;2,3,4,5-tetrahydroxyhexanal

azane;nitric acid;2,3,4,5-tetrahydroxyhexanal (PubChem CID 174863024) has the molecular formula C6H16N2O8 and a molecular weight of 244.20 g/mol. Its IUPAC name is azane;nitric acid;2,3,4,5-tetrahydroxyhexanal.

Molecular Properties

Compound Nameazane;nitric acid;2,3,4,5-tetrahydroxyhexanal
PubChem CID174863024
Molecular FormulaC6H16N2O8
Molecular Weight244.20 g/mol
Exact Mass244.09
IUPAC Nameazane;nitric acid;2,3,4,5-tetrahydroxyhexanal
SMILESCC(O)C(O)C(O)C(O)C=O.N.O=[N+]([O-])O
InChIInChI=1S/C6H12O5.HNO3.H3N/c1-3(8)5(10)6(11)4(9)2-7;2-1(3)4;/h2-6,8-11H,1H3;(H,2,3,4);1H3
InChIKeyMFDASMNSTOHGAL-UHFFFAOYSA-N
XLogP-2.54
TPSA196.36 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.20
LogP ≤ 5-2.54
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2,3,4,5-tetrahydroxyhexanal
CID 71774580
(2R,3R,4S)-2,3,4,5-tetrahydroxyhexanal
CID 10855815
(2R,3R,4R,5R)-2,3,4,5-tetrahydroxyhexanal
CID 6453351
(2S,3R,4R,5S)-2,3,4,5-tetrahydroxy(1,2,3,4,5,6-13C6)hexanal
CID 131953208
ethane;2,3,4,5-tetrahydroxyhexanal
CID 174774074
(2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanal azide
CID 89407664
2,3,4,5,6-pentahydroxy-6-nitrohexanal
CID 174867375
2-oxopropanoic acid;(2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal
CID 157349570
(2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal
CID 87725092
formic acid;nitric acid;bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal)
CID 173389886
furan;2,3,4,5-tetrahydroxyhexanal
CID 174834063
prop-2-enamide;(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanal
CID 87645178

Frequently Asked Questions

What is the IUPAC name of azane;nitric acid;2,3,4,5-tetrahydroxyhexanal?
The IUPAC name of azane;nitric acid;2,3,4,5-tetrahydroxyhexanal (CID 174863024) is azane;nitric acid;2,3,4,5-tetrahydroxyhexanal.
What is the SMILES notation for azane;nitric acid;2,3,4,5-tetrahydroxyhexanal?
The canonical SMILES for azane;nitric acid;2,3,4,5-tetrahydroxyhexanal is CC(O)C(O)C(O)C(O)C=O.N.O=[N+]([O-])O.
What is the InChIKey of azane;nitric acid;2,3,4,5-tetrahydroxyhexanal?
The InChIKey is MFDASMNSTOHGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O5.HNO3.H3N/c1-3(8)5(10)6(11)4(9)2-7;2-1(3)4;/h2-6,8-11H,1H3;(H,2,3,4);1H3.
What are the key properties of azane;nitric acid;2,3,4,5-tetrahydroxyhexanal?
azane;nitric acid;2,3,4,5-tetrahydroxyhexanal has a molecular weight of 244.20 g/mol, XLogP of -2.54, 4 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for azane;nitric acid;2,3,4,5-tetrahydroxyhexanal is sourced from PubChem (CID 174863024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).