(2R,3R,4R,5S)-5-hydrazinylhexane-1,2,3,4,6-pentol

C6H16N2O5 — CID 54442967

IUPAC(2R,3R,4R,5S)-5-hydrazinylhexane-1,2,3,4,6-pentol
SMILESNN[C@@H](CO)[C@@H](O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C6H16N2O5/c7-8-3(1-9)5(12)6(13)4(11)2-10/h3-6,8-13H,1-2,7H2/t3-,4+,5+,6-/m0/s1
InChIKeyWPLKINDJYZFEPG-KCDKBNATSA-N
MW196.20 g/mol
LogP-4.11
Rot. Bonds6

About (2R,3R,4R,5S)-5-hydrazinylhexane-1,2,3,4,6-pentol

(2R,3R,4R,5S)-5-hydrazinylhexane-1,2,3,4,6-pentol (PubChem CID 54442967) has the molecular formula C6H16N2O5 and a molecular weight of 196.20 g/mol. Its IUPAC name is (2R,3R,4R,5S)-5-hydrazinylhexane-1,2,3,4,6-pentol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-5-hydrazinylhexane-1,2,3,4,6-pentol
PubChem CID54442967
Molecular FormulaC6H16N2O5
Molecular Weight196.20 g/mol
Exact Mass196.11
IUPAC Name(2R,3R,4R,5S)-5-hydrazinylhexane-1,2,3,4,6-pentol
SMILESNN[C@@H](CO)[C@@H](O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C6H16N2O5/c7-8-3(1-9)5(12)6(13)4(11)2-10/h3-6,8-13H,1-2,7H2/t3-,4+,5+,6-/m0/s1
InChIKeyWPLKINDJYZFEPG-KCDKBNATSA-N
XLogP-4.11
TPSA139.20 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.20
LogP ≤ 5-4.11
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2R,3R,4R,5S)-5-hydrazinylhexane-1,2,3,4,6-pentol with MolForge

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Related Compounds

(2S,3S,4R,5R)-1-hydrazinylhexane-1,2,3,4,5,6-hexol
CID 54413278
(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 135394797
(2R,5S)-hexane-1,2,3,4,5,6-hexol
CID 88909362
(2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 87912891
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;iron
CID 173421469
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;methane
CID 155195650
CID 87266813
CID 87266813
(3R,5R,6R)-heptane-1,2,3,4,5,6,7-heptol
CID 87483282
CID 158428296
CID 158428296
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;zinc
CID 88619828
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;methane
CID 159810925
heptane-1,2,3,4,5,6,7-heptol;hydroiodide
CID 126649290

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-5-hydrazinylhexane-1,2,3,4,6-pentol?
The IUPAC name of (2R,3R,4R,5S)-5-hydrazinylhexane-1,2,3,4,6-pentol (CID 54442967) is (2R,3R,4R,5S)-5-hydrazinylhexane-1,2,3,4,6-pentol.
What is the SMILES notation for (2R,3R,4R,5S)-5-hydrazinylhexane-1,2,3,4,6-pentol?
The canonical SMILES for (2R,3R,4R,5S)-5-hydrazinylhexane-1,2,3,4,6-pentol is NN[C@@H](CO)[C@@H](O)[C@@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3R,4R,5S)-5-hydrazinylhexane-1,2,3,4,6-pentol?
The InChIKey is WPLKINDJYZFEPG-KCDKBNATSA-N. The full InChI is InChI=1S/C6H16N2O5/c7-8-3(1-9)5(12)6(13)4(11)2-10/h3-6,8-13H,1-2,7H2/t3-,4+,5+,6-/m0/s1.
What are the key properties of (2R,3R,4R,5S)-5-hydrazinylhexane-1,2,3,4,6-pentol?
(2R,3R,4R,5S)-5-hydrazinylhexane-1,2,3,4,6-pentol has a molecular weight of 196.20 g/mol, XLogP of -4.11, 6 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-5-hydrazinylhexane-1,2,3,4,6-pentol is sourced from PubChem (CID 54442967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).