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

C6H16N2O6 — CID 54413278

IUPAC(2S,3S,4R,5R)-1-hydrazinylhexane-1,2,3,4,5,6-hexol
SMILESNNC(O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C6H16N2O6/c7-8-6(14)5(13)4(12)3(11)2(10)1-9/h2-6,8-14H,1,7H2/t2-,3-,4+,5+,6?/m1/s1
InChIKeyVVQFBXGCNFTORR-QTVWNMPRSA-N
MW212.20 g/mol
LogP-4.80
Rot. Bonds6

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

(2S,3S,4R,5R)-1-hydrazinylhexane-1,2,3,4,5,6-hexol (PubChem CID 54413278) has the molecular formula C6H16N2O6 and a molecular weight of 212.20 g/mol. Its IUPAC name is (2S,3S,4R,5R)-1-hydrazinylhexane-1,2,3,4,5,6-hexol.

Molecular Properties

Compound Name(2S,3S,4R,5R)-1-hydrazinylhexane-1,2,3,4,5,6-hexol
PubChem CID54413278
Molecular FormulaC6H16N2O6
Molecular Weight212.20 g/mol
Exact Mass212.10
IUPAC Name(2S,3S,4R,5R)-1-hydrazinylhexane-1,2,3,4,5,6-hexol
SMILESNNC(O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C6H16N2O6/c7-8-6(14)5(13)4(12)3(11)2(10)1-9/h2-6,8-14H,1,7H2/t2-,3-,4+,5+,6?/m1/s1
InChIKeyVVQFBXGCNFTORR-QTVWNMPRSA-N
XLogP-4.80
TPSA159.43 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.20
LogP ≤ 5-4.80
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(3R,5R,6R)-heptane-1,2,3,4,5,6,7-heptol
CID 87483282
(2R,3R,4R,5S)-5-hydrazinylhexane-1,2,3,4,6-pentol
CID 54442967
heptane-1,2,3,4,5,6,7-heptol;hydrochloride
CID 126649386
heptane-1,2,3,4,5,6,7-heptol;hydroiodide
CID 126649290
(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
CID 158428296
CID 158428296
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;methane
CID 159810925

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R)-1-hydrazinylhexane-1,2,3,4,5,6-hexol?
The IUPAC name of (2S,3S,4R,5R)-1-hydrazinylhexane-1,2,3,4,5,6-hexol (CID 54413278) is (2S,3S,4R,5R)-1-hydrazinylhexane-1,2,3,4,5,6-hexol.
What is the SMILES notation for (2S,3S,4R,5R)-1-hydrazinylhexane-1,2,3,4,5,6-hexol?
The canonical SMILES for (2S,3S,4R,5R)-1-hydrazinylhexane-1,2,3,4,5,6-hexol is NNC(O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2S,3S,4R,5R)-1-hydrazinylhexane-1,2,3,4,5,6-hexol?
The InChIKey is VVQFBXGCNFTORR-QTVWNMPRSA-N. The full InChI is InChI=1S/C6H16N2O6/c7-8-6(14)5(13)4(12)3(11)2(10)1-9/h2-6,8-14H,1,7H2/t2-,3-,4+,5+,6?/m1/s1.
What are the key properties of (2S,3S,4R,5R)-1-hydrazinylhexane-1,2,3,4,5,6-hexol?
(2S,3S,4R,5R)-1-hydrazinylhexane-1,2,3,4,5,6-hexol has a molecular weight of 212.20 g/mol, XLogP of -4.80, 6 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-1-hydrazinylhexane-1,2,3,4,5,6-hexol is sourced from PubChem (CID 54413278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).