[(Z)-[(2S,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexylidene]amino]urea

C7H15N3O6 — CID 129449936

IUPAC[(Z)-[(2S,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexylidene]amino]urea
SMILESNC(=O)N/N=C\[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C7H15N3O6/c8-7(16)10-9-1-3(12)5(14)6(15)4(13)2-11/h1,3-6,11-15H,2H2,(H3,8,10,16)/b9-1-/t3-,4+,5-,6-/m0/s1
InChIKeyNOUQGOYNEGWDCZ-VJDOBWRRSA-N
MW237.21 g/mol
LogP-3.92
Rot. Bonds6

About [(Z)-[(2S,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexylidene]amino]urea

[(Z)-[(2S,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexylidene]amino]urea (PubChem CID 129449936) has the molecular formula C7H15N3O6 and a molecular weight of 237.21 g/mol. Its IUPAC name is [(Z)-[(2S,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexylidene]amino]urea.

Molecular Properties

Compound Name[(Z)-[(2S,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexylidene]amino]urea
PubChem CID129449936
Molecular FormulaC7H15N3O6
Molecular Weight237.21 g/mol
Exact Mass237.10
IUPAC Name[(Z)-[(2S,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexylidene]amino]urea
SMILESNC(=O)N/N=C\[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C7H15N3O6/c8-7(16)10-9-1-3(12)5(14)6(15)4(13)2-11/h1,3-6,11-15H,2H2,(H3,8,10,16)/b9-1-/t3-,4+,5-,6-/m0/s1
InChIKeyNOUQGOYNEGWDCZ-VJDOBWRRSA-N
XLogP-3.92
TPSA168.63 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500237.21
LogP ≤ 5-3.92
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[3-oxo-3-[(2Z)-2-[(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexylidene]hydrazinyl]propyl]sulfanyl-N-[(Z)-[(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexylidene]amino]propanamide
CID 92973904
trimethyl-[2-oxo-2-[2-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexylidene]hydrazinyl]ethyl]azanium chloride
CID 131884104
2-(4-fluoroanilino)-N-(2,3,4,5,6-pentahydroxyhexylideneamino)acetamide
CID 3786859
2-(1-adamantyl)-N-(2,3,4,5,6-pentahydroxyhexylideneamino)acetamide
CID 5158678
(2R,3S,4R,5S,6E)-6-hydrazinylidenehexane-1,2,3,4,5-pentol;platinum;hydrochloride
CID 88689759
4-ethoxy-N-[(E)-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexylidene]amino]benzamide
CID 20844228
formaldehyde;2,3,4,5,6-pentahydroxyhexanal;urea
CID 175597940
(2R,3S,4R,5S,6E)-6-(hexylhydrazinylidene)hexane-1,2,3,4,5-pentol
CID 121006907
2,3,4,5,6-pentahydroxyhexanal;thiourea
CID 174550729
(2R,3S,4S,5S,6Z)-6-(carbamothioylhydrazinylidene)-2,3,4,5-tetrahydroxyhexanoic acid
CID 124776177
(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

Frequently Asked Questions

What is the IUPAC name of [(Z)-[(2S,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexylidene]amino]urea?
The IUPAC name of [(Z)-[(2S,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexylidene]amino]urea (CID 129449936) is [(Z)-[(2S,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexylidene]amino]urea.
What is the SMILES notation for [(Z)-[(2S,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexylidene]amino]urea?
The canonical SMILES for [(Z)-[(2S,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexylidene]amino]urea is NC(=O)N/N=C\[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO.
What is the InChIKey of [(Z)-[(2S,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexylidene]amino]urea?
The InChIKey is NOUQGOYNEGWDCZ-VJDOBWRRSA-N. The full InChI is InChI=1S/C7H15N3O6/c8-7(16)10-9-1-3(12)5(14)6(15)4(13)2-11/h1,3-6,11-15H,2H2,(H3,8,10,16)/b9-1-/t3-,4+,5-,6-/m0/s1.
What are the key properties of [(Z)-[(2S,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexylidene]amino]urea?
[(Z)-[(2S,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexylidene]amino]urea has a molecular weight of 237.21 g/mol, XLogP of -3.92, 6 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[(2S,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexylidene]amino]urea is sourced from PubChem (CID 129449936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).