2-(hydroxymethyl)-6-[2-(2,2,6,6-tetramethylpiperidin-4-ylidene)hydrazinyl]oxane-3,4,5-triol

C15H29N3O5 — CID 23547243

IUPAC2-(hydroxymethyl)-6-[2-(2,2,6,6-tetramethylpiperidin-4-ylidene)hydrazinyl]oxane-3,4,5-triol
SMILESCC1(C)CC(=NNC2OC(CO)C(O)C(O)C2O)CC(C)(C)N1
InChIInChI=1S/C15H29N3O5/c1-14(2)5-8(6-15(3,4)18-14)16-17-13-12(22)11(21)10(20)9(7-19)23-13/h9-13,17-22H,5-7H2,1-4H3
InChIKeyDGYBPAQJJTZYTE-UHFFFAOYSA-N
MW331.41 g/mol
LogP-1.33
Rot. Bonds3

About 2-(hydroxymethyl)-6-[2-(2,2,6,6-tetramethylpiperidin-4-ylidene)hydrazinyl]oxane-3,4,5-triol

2-(hydroxymethyl)-6-[2-(2,2,6,6-tetramethylpiperidin-4-ylidene)hydrazinyl]oxane-3,4,5-triol (PubChem CID 23547243) has the molecular formula C15H29N3O5 and a molecular weight of 331.41 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-[2-(2,2,6,6-tetramethylpiperidin-4-ylidene)hydrazinyl]oxane-3,4,5-triol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-[2-(2,2,6,6-tetramethylpiperidin-4-ylidene)hydrazinyl]oxane-3,4,5-triol
PubChem CID23547243
Molecular FormulaC15H29N3O5
Molecular Weight331.41 g/mol
Exact Mass331.21
IUPAC Name2-(hydroxymethyl)-6-[2-(2,2,6,6-tetramethylpiperidin-4-ylidene)hydrazinyl]oxane-3,4,5-triol
SMILESCC1(C)CC(=NNC2OC(CO)C(O)C(O)C2O)CC(C)(C)N1
InChIInChI=1S/C15H29N3O5/c1-14(2)5-8(6-15(3,4)18-14)16-17-13-12(22)11(21)10(20)9(7-19)23-13/h9-13,17-22H,5-7H2,1-4H3
InChIKeyDGYBPAQJJTZYTE-UHFFFAOYSA-N
XLogP-1.33
TPSA126.57 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.41
LogP ≤ 5-1.33
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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

2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]guanidine
CID 3837727
2-(hydroxymethyl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)hydrazinylidene]oxane-3,4,5-triol
CID 91600099
(3R,4S,5R,6R)-2-[(3,5-dimethyl-1-adamantyl)amino]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 25134431
1-methyl-3-[[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]thiourea
CID 124909209
2-(hydroxymethyl)-6-[2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]ethylamino]oxane-3,4,5-triol
CID 85428971
(2R,3R,4S,5S,6R)-2-(hydroxymethyl)-6-[4-[4-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]phenyl]anilino]oxane-3,4,5-triol
CID 124766547
2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 4670797
(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 146048165
1,3-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]urea
CID 5239774
(2S,3S,4R,5S,6S)-2-[4,5-dimethyl-2-[[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]anilino]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 51443483
4-methyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]piperazine-1-carbothioamide
CID 54410292
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-3,4,5-triol
CID 54179921

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-[2-(2,2,6,6-tetramethylpiperidin-4-ylidene)hydrazinyl]oxane-3,4,5-triol?
The IUPAC name of 2-(hydroxymethyl)-6-[2-(2,2,6,6-tetramethylpiperidin-4-ylidene)hydrazinyl]oxane-3,4,5-triol (CID 23547243) is 2-(hydroxymethyl)-6-[2-(2,2,6,6-tetramethylpiperidin-4-ylidene)hydrazinyl]oxane-3,4,5-triol.
What is the SMILES notation for 2-(hydroxymethyl)-6-[2-(2,2,6,6-tetramethylpiperidin-4-ylidene)hydrazinyl]oxane-3,4,5-triol?
The canonical SMILES for 2-(hydroxymethyl)-6-[2-(2,2,6,6-tetramethylpiperidin-4-ylidene)hydrazinyl]oxane-3,4,5-triol is CC1(C)CC(=NNC2OC(CO)C(O)C(O)C2O)CC(C)(C)N1.
What is the InChIKey of 2-(hydroxymethyl)-6-[2-(2,2,6,6-tetramethylpiperidin-4-ylidene)hydrazinyl]oxane-3,4,5-triol?
The InChIKey is DGYBPAQJJTZYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O5/c1-14(2)5-8(6-15(3,4)18-14)16-17-13-12(22)11(21)10(20)9(7-19)23-13/h9-13,17-22H,5-7H2,1-4H3.
What are the key properties of 2-(hydroxymethyl)-6-[2-(2,2,6,6-tetramethylpiperidin-4-ylidene)hydrazinyl]oxane-3,4,5-triol?
2-(hydroxymethyl)-6-[2-(2,2,6,6-tetramethylpiperidin-4-ylidene)hydrazinyl]oxane-3,4,5-triol has a molecular weight of 331.41 g/mol, XLogP of -1.33, 3 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-[2-(2,2,6,6-tetramethylpiperidin-4-ylidene)hydrazinyl]oxane-3,4,5-triol is sourced from PubChem (CID 23547243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).