[6-[(2E)-2-(ethylhydrazinylidene)propyl]-3,4,5-trihydroxyoxan-2-yl] formate

C11H20N2O6 — CID 89197685

IUPAC[6-[(2E)-2-(ethylhydrazinylidene)propyl]-3,4,5-trihydroxyoxan-2-yl] formate
SMILESCCN/N=C(\C)CC1OC(OC=O)C(O)C(O)C1O
InChIInChI=1S/C11H20N2O6/c1-3-12-13-6(2)4-7-8(15)9(16)10(17)11(19-7)18-5-14/h5,7-12,15-17H,3-4H2,1-2H3/b13-6+
InChIKeyWMFUYWVCNCJMCT-AWNIVKPZSA-N
MW276.29 g/mol
LogP-1.66
Rot. Bonds6

About [6-[(2E)-2-(ethylhydrazinylidene)propyl]-3,4,5-trihydroxyoxan-2-yl] formate

[6-[(2E)-2-(ethylhydrazinylidene)propyl]-3,4,5-trihydroxyoxan-2-yl] formate (PubChem CID 89197685) has the molecular formula C11H20N2O6 and a molecular weight of 276.29 g/mol. Its IUPAC name is [6-[(2E)-2-(ethylhydrazinylidene)propyl]-3,4,5-trihydroxyoxan-2-yl] formate.

Molecular Properties

Compound Name[6-[(2E)-2-(ethylhydrazinylidene)propyl]-3,4,5-trihydroxyoxan-2-yl] formate
PubChem CID89197685
Molecular FormulaC11H20N2O6
Molecular Weight276.29 g/mol
Exact Mass276.13
IUPAC Name[6-[(2E)-2-(ethylhydrazinylidene)propyl]-3,4,5-trihydroxyoxan-2-yl] formate
SMILESCCN/N=C(\C)CC1OC(OC=O)C(O)C(O)C1O
InChIInChI=1S/C11H20N2O6/c1-3-12-13-6(2)4-7-8(15)9(16)10(17)11(19-7)18-5-14/h5,7-12,15-17H,3-4H2,1-2H3/b13-6+
InChIKeyWMFUYWVCNCJMCT-AWNIVKPZSA-N
XLogP-1.66
TPSA120.61 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 5-1.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] formate
CID 174303311
[(3S,4R,5R,6R)-3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxy]oxan-2-yl] formate
CID 160711349
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(E)-[(4E)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyiminopentan-2-ylidene]amino]oxyoxane-3,4,5-triol
CID 177489803
2-[(3S,6R)-6-[(2R,5S)-6-(2-hydrazinyl-2-oxoethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]acetohydrazide
CID 130183683
(3R,4R,6R)-2-ethyl-6-methoxyoxane-3,4,5-triol
CID 58503038
2-ethyl-6-methoxyoxane-3,4,5-triol
CID 21334747
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] acetate
CID 14859665
(2S,5S)-2-ethoxy-6-ethyloxane-3,4,5-triol
CID 167273619
(2S,3S,4S,5S)-2-((18F)fluoromethyl)-6-methoxyoxane-3,4,5-triol
CID 15949247
[(2R,3S,4S,5R)-6-ethoxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
CID 15742207
2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetaldehyde
CID 102054484
1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]propan-2-one
CID 70658823

Frequently Asked Questions

What is the IUPAC name of [6-[(2E)-2-(ethylhydrazinylidene)propyl]-3,4,5-trihydroxyoxan-2-yl] formate?
The IUPAC name of [6-[(2E)-2-(ethylhydrazinylidene)propyl]-3,4,5-trihydroxyoxan-2-yl] formate (CID 89197685) is [6-[(2E)-2-(ethylhydrazinylidene)propyl]-3,4,5-trihydroxyoxan-2-yl] formate.
What is the SMILES notation for [6-[(2E)-2-(ethylhydrazinylidene)propyl]-3,4,5-trihydroxyoxan-2-yl] formate?
The canonical SMILES for [6-[(2E)-2-(ethylhydrazinylidene)propyl]-3,4,5-trihydroxyoxan-2-yl] formate is CCN/N=C(\C)CC1OC(OC=O)C(O)C(O)C1O.
What is the InChIKey of [6-[(2E)-2-(ethylhydrazinylidene)propyl]-3,4,5-trihydroxyoxan-2-yl] formate?
The InChIKey is WMFUYWVCNCJMCT-AWNIVKPZSA-N. The full InChI is InChI=1S/C11H20N2O6/c1-3-12-13-6(2)4-7-8(15)9(16)10(17)11(19-7)18-5-14/h5,7-12,15-17H,3-4H2,1-2H3/b13-6+.
What are the key properties of [6-[(2E)-2-(ethylhydrazinylidene)propyl]-3,4,5-trihydroxyoxan-2-yl] formate?
[6-[(2E)-2-(ethylhydrazinylidene)propyl]-3,4,5-trihydroxyoxan-2-yl] formate has a molecular weight of 276.29 g/mol, XLogP of -1.66, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2E)-2-(ethylhydrazinylidene)propyl]-3,4,5-trihydroxyoxan-2-yl] formate is sourced from PubChem (CID 89197685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).