(2R,3S,4R,5S)-5-amino-6-hydrazinylidenehexane-1,2,3,4-tetrol

C6H15N3O4 — CID 86740780

IUPAC(2R,3S,4R,5S)-5-amino-6-hydrazinylidenehexane-1,2,3,4-tetrol
SMILESNN=C[C@H](N)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C6H15N3O4/c7-3(1-9-8)5(12)6(13)4(11)2-10/h1,3-6,10-13H,2,7-8H2/t3-,4+,5+,6+/m0/s1
InChIKeySNUXGKIHLBLRSZ-SLPGGIOYSA-N
MW193.20 g/mol
LogP-3.67
Rot. Bonds5

About (2R,3S,4R,5S)-5-amino-6-hydrazinylidenehexane-1,2,3,4-tetrol

(2R,3S,4R,5S)-5-amino-6-hydrazinylidenehexane-1,2,3,4-tetrol (PubChem CID 86740780) has the molecular formula C6H15N3O4 and a molecular weight of 193.20 g/mol. Its IUPAC name is (2R,3S,4R,5S)-5-amino-6-hydrazinylidenehexane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(2R,3S,4R,5S)-5-amino-6-hydrazinylidenehexane-1,2,3,4-tetrol
PubChem CID86740780
Molecular FormulaC6H15N3O4
Molecular Weight193.20 g/mol
Exact Mass193.11
IUPAC Name(2R,3S,4R,5S)-5-amino-6-hydrazinylidenehexane-1,2,3,4-tetrol
SMILESNN=C[C@H](N)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C6H15N3O4/c7-3(1-9-8)5(12)6(13)4(11)2-10/h1,3-6,10-13H,2,7-8H2/t3-,4+,5+,6+/m0/s1
InChIKeySNUXGKIHLBLRSZ-SLPGGIOYSA-N
XLogP-3.67
TPSA145.32 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500193.20
LogP ≤ 5-3.67
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

(2R,3S,4R,5S,6E)-6-hydrazinylidenehexane-1,2,3,4,5-pentol;platinum;hydrochloride
CID 88689759
(2R,3S,4R,5S)-5-aminohept-6-ene-1,2,3,4-tetrol
CID 46872492
(2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanal;hydrate
CID 87600410
(2S,3S,4R,5S)-2-amino-3,4,5,6-tetrahydroxyhexanal;hydrochloride
CID 131851810
bis((2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanal);sulfuric acid
CID 73415774
(2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanal;sulfuric acid;hydrochloride
CID 87909448
(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
(2S,3S,4R)-1-aminopentane-1,2,3,4,5-pentol
CID 139898597
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;iron
CID 173421469
CID 87266813
CID 87266813

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S)-5-amino-6-hydrazinylidenehexane-1,2,3,4-tetrol?
The IUPAC name of (2R,3S,4R,5S)-5-amino-6-hydrazinylidenehexane-1,2,3,4-tetrol (CID 86740780) is (2R,3S,4R,5S)-5-amino-6-hydrazinylidenehexane-1,2,3,4-tetrol.
What is the SMILES notation for (2R,3S,4R,5S)-5-amino-6-hydrazinylidenehexane-1,2,3,4-tetrol?
The canonical SMILES for (2R,3S,4R,5S)-5-amino-6-hydrazinylidenehexane-1,2,3,4-tetrol is NN=C[C@H](N)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3S,4R,5S)-5-amino-6-hydrazinylidenehexane-1,2,3,4-tetrol?
The InChIKey is SNUXGKIHLBLRSZ-SLPGGIOYSA-N. The full InChI is InChI=1S/C6H15N3O4/c7-3(1-9-8)5(12)6(13)4(11)2-10/h1,3-6,10-13H,2,7-8H2/t3-,4+,5+,6+/m0/s1.
What are the key properties of (2R,3S,4R,5S)-5-amino-6-hydrazinylidenehexane-1,2,3,4-tetrol?
(2R,3S,4R,5S)-5-amino-6-hydrazinylidenehexane-1,2,3,4-tetrol has a molecular weight of 193.20 g/mol, XLogP of -3.67, 5 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S)-5-amino-6-hydrazinylidenehexane-1,2,3,4-tetrol is sourced from PubChem (CID 86740780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).