N-[[(2S,3R,4S)-2,3,4,5-tetrahydroxypentylidene]amino]benzamide

C12H16N2O5 — CID 154142280

IUPACN-[[(2S,3R,4S)-2,3,4,5-tetrahydroxypentylidene]amino]benzamide
SMILESO=C(NN=C[C@H](O)[C@@H](O)[C@@H](O)CO)c1ccccc1
InChIInChI=1S/C12H16N2O5/c15-7-10(17)11(18)9(16)6-13-14-12(19)8-4-2-1-3-5-8/h1-6,9-11,15-18H,7H2,(H,14,19)/t9-,10-,11+/m0/s1
InChIKeyYDDASHLSULTJAX-GARJFASQSA-N
MW268.27 g/mol
LogP-1.52
Rot. Bonds6

About N-[[(2S,3R,4S)-2,3,4,5-tetrahydroxypentylidene]amino]benzamide

N-[[(2S,3R,4S)-2,3,4,5-tetrahydroxypentylidene]amino]benzamide (PubChem CID 154142280) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is N-[[(2S,3R,4S)-2,3,4,5-tetrahydroxypentylidene]amino]benzamide.

Molecular Properties

Compound NameN-[[(2S,3R,4S)-2,3,4,5-tetrahydroxypentylidene]amino]benzamide
PubChem CID154142280
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC NameN-[[(2S,3R,4S)-2,3,4,5-tetrahydroxypentylidene]amino]benzamide
SMILESO=C(NN=C[C@H](O)[C@@H](O)[C@@H](O)CO)c1ccccc1
InChIInChI=1S/C12H16N2O5/c15-7-10(17)11(18)9(16)6-13-14-12(19)8-4-2-1-3-5-8/h1-6,9-11,15-18H,7H2,(H,14,19)/t9-,10-,11+/m0/s1
InChIKeyYDDASHLSULTJAX-GARJFASQSA-N
XLogP-1.52
TPSA122.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-1.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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

N'-[(1E)-2,3,4,5-tetrahydroxyhexylidene]benzohydrazide
CID 5970679
N-[(E)-[(2S,3S,4R,5S)-2,3,4,5,6-pentahydroxyhexylidene]amino]benzamide
CID 145985186
Arabinose-benzoylhydrazon
CID 129888589
N-[(E)-2,3,4,5,6-pentahydroxyhexylideneamino]benzamide
CID 5381368
N-[(E)-[(2Z)-2-(benzoylhydrazinylidene)-4,5,6-trihydroxyhexylidene]amino]benzamide
CID 9562629
N-[(E)-[(2S)-2,3-dihydroxypropylidene]amino]benzamide
CID 10584470
3-Deoxy-D-erythro-hexos-2-ulose-bis-benzoylhydrazone
CID 57369642
3-(Benzoylhydrazinylidene)propanoic acid
CID 90703954
D-Xylitol, 1-(2-benzoylhydrazino)-1-deoxy-
CID 121010900
3-Deoxy-d-threo-hexos-2-ulose bis(benzoylhydrazone)
CID 129714171
3-Deoxy-l-erythro-hexos-2-ulose bis(benzoylhydrazone)
CID 129714187
3-Deoxy-l-threo-hexos-2-ulose bis(benzoylhydrazone)
CID 129714193

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,3R,4S)-2,3,4,5-tetrahydroxypentylidene]amino]benzamide?
The IUPAC name of N-[[(2S,3R,4S)-2,3,4,5-tetrahydroxypentylidene]amino]benzamide (CID 154142280) is N-[[(2S,3R,4S)-2,3,4,5-tetrahydroxypentylidene]amino]benzamide.
What is the SMILES notation for N-[[(2S,3R,4S)-2,3,4,5-tetrahydroxypentylidene]amino]benzamide?
The canonical SMILES for N-[[(2S,3R,4S)-2,3,4,5-tetrahydroxypentylidene]amino]benzamide is O=C(NN=C[C@H](O)[C@@H](O)[C@@H](O)CO)c1ccccc1.
What is the InChIKey of N-[[(2S,3R,4S)-2,3,4,5-tetrahydroxypentylidene]amino]benzamide?
The InChIKey is YDDASHLSULTJAX-GARJFASQSA-N. The full InChI is InChI=1S/C12H16N2O5/c15-7-10(17)11(18)9(16)6-13-14-12(19)8-4-2-1-3-5-8/h1-6,9-11,15-18H,7H2,(H,14,19)/t9-,10-,11+/m0/s1.
What are the key properties of N-[[(2S,3R,4S)-2,3,4,5-tetrahydroxypentylidene]amino]benzamide?
N-[[(2S,3R,4S)-2,3,4,5-tetrahydroxypentylidene]amino]benzamide has a molecular weight of 268.27 g/mol, XLogP of -1.52, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,3R,4S)-2,3,4,5-tetrahydroxypentylidene]amino]benzamide is sourced from PubChem (CID 154142280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).