formaldehyde;2,3,4,5,6-pentahydroxyhexanal;urea

C8H18N2O8 — CID 175597940

IUPACformaldehyde;2,3,4,5,6-pentahydroxyhexanal;urea
SMILESC=O.NC(N)=O.O=CC(O)C(O)C(O)C(O)CO
InChIInChI=1S/C6H12O6.CH4N2O.CH2O/c7-1-3(9)5(11)6(12)4(10)2-8;2-1(3)4;1-2/h1,3-6,8-12H,2H2;(H4,2,3,4);1H2
InChIKeyBRDZLJNOSFMEFY-UHFFFAOYSA-N
MW270.24 g/mol
LogP-4.54
Rot. Bonds5

About formaldehyde;2,3,4,5,6-pentahydroxyhexanal;urea

formaldehyde;2,3,4,5,6-pentahydroxyhexanal;urea (PubChem CID 175597940) has the molecular formula C8H18N2O8 and a molecular weight of 270.24 g/mol. Its IUPAC name is formaldehyde;2,3,4,5,6-pentahydroxyhexanal;urea.

Molecular Properties

Compound Nameformaldehyde;2,3,4,5,6-pentahydroxyhexanal;urea
PubChem CID175597940
Molecular FormulaC8H18N2O8
Molecular Weight270.24 g/mol
Exact Mass270.11
IUPAC Nameformaldehyde;2,3,4,5,6-pentahydroxyhexanal;urea
SMILESC=O.NC(N)=O.O=CC(O)C(O)C(O)C(O)CO
InChIInChI=1S/C6H12O6.CH4N2O.CH2O/c7-1-3(9)5(11)6(12)4(10)2-8;2-1(3)4;1-2/h1,3-6,8-12H,2H2;(H4,2,3,4);1H2
InChIKeyBRDZLJNOSFMEFY-UHFFFAOYSA-N
XLogP-4.54
TPSA204.40 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.24
LogP ≤ 5-4.54
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanal;prop-2-enamide
CID 87645224
(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;prop-2-enamide
CID 87644411
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 86597567
(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 87227969
(2S)-2,3,4,5,6-pentahydroxyhexanal
CID 89242343
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 87772987
(3R,4R)-2,3,4,5,6-pentahydroxyhexanal
CID 130245293
(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 3037556
2,3,4,5,6-pentahydroxyhexanal;thiourea
CID 174550729
2-methylprop-2-enamide;(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 87645451
methane;(2S,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexanal
CID 175873385
azane;(2S,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal;(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 173336808

Frequently Asked Questions

What is the IUPAC name of formaldehyde;2,3,4,5,6-pentahydroxyhexanal;urea?
The IUPAC name of formaldehyde;2,3,4,5,6-pentahydroxyhexanal;urea (CID 175597940) is formaldehyde;2,3,4,5,6-pentahydroxyhexanal;urea.
What is the SMILES notation for formaldehyde;2,3,4,5,6-pentahydroxyhexanal;urea?
The canonical SMILES for formaldehyde;2,3,4,5,6-pentahydroxyhexanal;urea is C=O.NC(N)=O.O=CC(O)C(O)C(O)C(O)CO.
What is the InChIKey of formaldehyde;2,3,4,5,6-pentahydroxyhexanal;urea?
The InChIKey is BRDZLJNOSFMEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O6.CH4N2O.CH2O/c7-1-3(9)5(11)6(12)4(10)2-8;2-1(3)4;1-2/h1,3-6,8-12H,2H2;(H4,2,3,4);1H2.
What are the key properties of formaldehyde;2,3,4,5,6-pentahydroxyhexanal;urea?
formaldehyde;2,3,4,5,6-pentahydroxyhexanal;urea has a molecular weight of 270.24 g/mol, XLogP of -4.54, 5 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;2,3,4,5,6-pentahydroxyhexanal;urea is sourced from PubChem (CID 175597940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).